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zhongyaohuaxue

木虫 (小有名气)

[求助] 微谱查化合物

化合物1
36.2,52.0,72.3,72.9,105.9,106.1,107.7,107.8,113.0,114.4,114.8,115.0,116.6,118.2,120.1,124.9,125.0,126.5,127.7,127.7,129.7,129.8,144.1,144.8,145.0,145.8,148.6,150.2,165.8,169.8

化合物2
103.9,108.2,110.1,110.8,119.6,121.1,123.0,126.4,127.0,127.1,136.1,140.9,142.5,144.8,148.0,167.5
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xiaoxiao270: 金币+2, 3Q 2012-08-16 11:05:19
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按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
36.2,52.0,72.3,72.9,105.9,106.1,107.7,107.8,113.0,114.4,114.8,115.0,116.6,118.2,120.1,124.9,125.0,126.5,127.7,127.7,129.7,129.8,144.1,144.8,145.0,145.8,148.6,150.2,165.8,169.8  
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值  
匹配容差: (数字格式,可自行设定)
相似度:  %(相似度>=50%)  




查询结果:共查到187个化合物(查询结果仅供参考)  
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1 .     3'-O-(8''-Z-caffeoyl)rosmarinic acid
    相似度:70%
Journal of Natural Products          2002          65          892-896
Isolation and Structure Elucidation of Radical Scavengers from Thymus vulgaris Leaves
Airidas Dapkevicius,Teris A. van Beek, Gerrit P. Lelyveld, Albertus van Veldhuizen, Aede de Groot,Jozef P. H. Linssen, and Rimantas Venskutonis
Structure      13C NMR   碳谱模拟图

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2 .     3-O-(caffeoyl)rosmarinic acid methyl ester
C28H24O12     相似度:66.6%
Chemical & Pharmaceutical Bulletin          2010          58          394-397
Hyaluronidase Inhibitors from Takuran, Lycopus lucidus
Toshihiro Murata, Mai Watahiki, Yu Tanaka, Toshio Miyase and Fumihiko Yoshizaki
Structure      13C NMR   碳谱模拟图

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3 .     3'-O-(8''-Z-caffeoyl)rosmarinic acid
    相似度:60%
Journal of Natural Products          2002          65          892-896
Isolation and Structure Elucidation of Radical Scavengers from Thymus vulgaris Leaves
Airidas Dapkevicius,Teris A. van Beek, Gerrit P. Lelyveld, Albertus van Veldhuizen, Aede de Groot,Jozef P. H. Linssen, and Rimantas Venskutonis
Structure      13C NMR   碳谱模拟图

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4 .     okanin 4'-O-β-D-(4"-acety1-6"-trans-p-coumaroyl)-glucoside
    相似度:60%
Planta Medica          1988          54          450-451
Weitere acylierte Chalkone aus Bidens pilosa
Further Acylated Chalcones from Bidens pilosa
Structure      13C NMR   碳谱模拟图

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5 .     8-O-4/8-O-4-Dehydrotriferulic Acid
C30H26O12     相似度:60%
Chemistry of Natural Compounds          2010          46          499-501
Triterpene saponins and other constituents from Fatsia japonica
Hak-Ju Lee, Hyun-Jung Lee, Kyoungtae Lee, Ha-Young Kang and Dongho Lee, et al.
Structure      13C NMR   碳谱模拟图

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6 .     lagerstannin B
C41H26O27     相似度:57.1%
Chemical & Pharmaceutical Bulletin          1992          40          2975-2980
Tannins and Related Compounds. CXVII. Isolation and Characterization of Three New Ellagitannins, Lagerstannins A, B and C, Having a Gluconic Acid Core, from Lagerstroemia speciosa (L.) PERS
Takashi TANAKA,Hui-Hong TONG,Ya-Ming XU,Kanji ISHIMARU,Gen-ichiro NONAKA and Itsuo NISHIOKA
Structure      13C NMR   碳谱模拟图

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7 .     clinopodic acid F
C28H24O12     相似度:56.6%
Journal of Natural Products          2009          72          1379-1384
Matrix Metalloproteinase-2 Inhibitors from Clinopodium chinense var. parWiflorum
Toshihiro Murata,Kenroh Sasaki,Kumiko Sato, Fumihiko Yoshizaki, Haruna Yamada, Hiromichi Mutoh, Kaoru Umehara,Toshio Miyase,Tsutomu Warashina,Hiroaki Aoshima, Homare Tabata, and Kouichi Matsubara
Structure      13C NMR   碳谱模拟图

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8 .     celenamide E
C28H25N4O7Br     相似度:56.6%
Journal of Natural Products          1998          61          488-490
Celenamide E, a Tripeptide Alkaloid from the Patagonian Sponge Cliona chilensis
Jorge A. Palermo, María Florencia Rodríguez Brasco, Eduardo Cabezas, Vilma Balzaretti, and Alicia M. Seldes
Structure      13C NMR   碳谱模拟图

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9 .     okanin 4'-O-β-D-(6"-trans-p-coumaroyl) glucoside
    相似度:56.6%
Planta Medica          1988          54          52-54
New Chalcones from Bidenspilosa
Bernhard Hoffmannt and Josef Hölzl
Structure      13C NMR   碳谱模拟图

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10 .     ferulic acid
    相似度:56.6%
Phytochemistry          2009          70          147-155
On the role of the monolignol γ-carbon functionality in lignin biopolymerization
Anders Holmgren, Magnus Norgren , Liming Zhang , Gunnar Henriksson
Structure      13C NMR   碳谱模拟图

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11 .     compound M-6
C30H22O9     相似度:56.6%
Chemistry of Natural Compounds          1986          22          35-38
A NEW ISOFLAVONOSTILBENE FROM THE HEARTWOOD OF Maackia amurensis
O. E. Krivoshchekova, L. S. Stepanenko, and O. B. Maksimov
Structure      13C NMR   碳谱模拟图

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12 .     bractin
C29H26O15     相似度:56.6%
Chinese Chemical Letters          2007          18          291-292
A new ellagitannin from Cleidion bracteosum
Peng Ju , Yi Fen Wang , Qiong Wang, Shi De Luo
Structure      13C NMR   碳谱模拟图

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13 .     Salvianolic acid J
C27H22O12     相似度:56.6%
Phytochemistry          1994          37          907-908
Salvianolic acid J, a depside from Salvia flava
Chun-Bo Ai, Qiao-Hong Deng, Wan-Zhi Song, Lian-Niang Li
Structure      13C NMR   碳谱模拟图

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14 .     5-{Trans-3-(3,5-dihydroxyphenyl)-6-[(E)-2-(3,5-dihydroxyphenyl)vivyl]-2,3-dihydro-1,4-benzodioxin-2-yl}2-hydroxyphenyl aceate
C30H24O9     相似度:56.6%
Bioorganic & Medicinal Chemistry          2011          19          5085-5092
Dimerization of piceatannol by Momordica charantia peroxidase and α-glucosidase inhibitory activity of the biotransformation products
Xiang Wan, Xiao-Bing Wang, Ming-Hua Yang, Jun-Song Wang, Ling-Yi Kong
Structure      13C NMR   碳谱模拟图

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15 .     lamellarin α 13,20-disulfate
C29H21NO14S2     相似度:56.6%
Heterocycles          2010          80          841-846
Divergent Synthesis of Lamellarin α 13-Sulfate, 20-Sulfate, and 13,20-Disulfate
Tsutomu Fukuda, Takeshi Ohta, Sho Saeki, and Masatomo Iwao
Structure      13C NMR   碳谱模拟图

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16 .     (5RS)-4-(benzotriazol-1-yl)-5-benzyl-1-methylpyrrol-2-one
C18H14N4O     相似度:56.6%
Heterocycles          2008          76          1401-1423
Triphenylphosphoranylidene Substituted Heterocycles as Versatile Intermediates
Alan R. Katritzky, Adam S. Vincek, and Peter J. Steel
Structure      13C NMR   碳谱模拟图

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17 .     methyl lithospermate
    相似度:56.6%
Chinese Journal of Natural Medicines          2007          5          27-30
Water-Soluble Constituents of Clerodendranthus spicatus
WANG Min; LIANG Jing-Yu; CHEN Xue-Ying
Structure      13C NMR   碳谱模拟图

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18 .     dimethyl lithospermate
    相似度:56.6%
Chinese Journal of Natural Medicines          2007          5          27-30
Water-Soluble Constituents of Clerodendranthus spicatus
WANG Min; LIANG Jing-Yu; CHEN Xue-Ying
Structure      13C NMR   碳谱模拟图

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19 .     luteolin-7-O-(6''-trans-caffeoyl)-β-D-glucopyranoside
    相似度:56.6%
Journal of China Pharmaceutical University          2010          41          120-123
Chemical constituents from the leaves of Callicarpa nudiflora
GAO Fei-peng; WANG Hao; YE Wen-cai; ZHAO Shou-xun
Structure      13C NMR   碳谱模拟图

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20 .     compound 1
C26H22O11     相似度:56.6%
Fitoterapia          2011          82          260-266
Isolation and identification of degradation products of salvianolic acid A by NMR and LC-MS
Jinzhong Xu, Shanshan Zeng, Xueying Chen, Haibin Qu
Structure      13C NMR   碳谱模拟图

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21 .     compound 13g
    相似度:56.6%
Bioorganic & Medicinal Chemistry Letters          2011          21          3573-3577
Synthesis of substituted triazolyl curcumin mimics that inhibit RANKL-induced osteoclastogenesis
Sang-Kyu Park, Sangtae Oh, Hye Kyoung Shin, Seong Hwan Kim, Jungyeob Ham, Jae-Seok Song, Seokjoon Lee
Structure      13C NMR   碳谱模拟图

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22 .     Jugnaphthalenoside C
C30H24O16     相似度:56.6%
Chemical & Pharmaceutical Bulletin          2012          60          785-789
Three New Naphthalenyl Glycosides from the Root Bark of Juglans cathayensis
Jia-Xiang Sun, Xiao-Ya Zhao, Xiao-Fang Fu, Heng-Yi Yu, Xue Li, Shu-Ming Li, Han-Li Ruan
Structure      13C NMR   碳谱模拟图

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23 .     1-[2-(3-benzyl-6-nitro-quinolin-2-yloxy)-5-fluoro-phenyl]-2-pyrazol-1-yl-ethanol
    相似度:54.8%
Bioorganic & Medicinal Chemistry          2009          17          4681-4692
Design, synthesis and biological evaluation of novel triazole, urea and thiourea derivatives of quinoline against Mycobacterium tuberculosis
Ram Shankar Upadhayaya, Girish M. Kulkarni, Nageswara Rao Vasireddy, Jaya Kishore Vandavasi, Shailesh S. Dixit, Vivek Sharma, Jyoti Chattopadhyaya
Structure      13C NMR   碳谱模拟图

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24 .     hippophaenin A
C46H48O22     相似度:54.5%
Phytochemistry          1991          30          663-666
Tannins from Hippophae rhamnoides
Takashi Yoshida, Katsumi Tanaka, Xin-Min Chen, Takuo Okuda
Structure      13C NMR   碳谱模拟图

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25 .     1-O-(E)-Caffeoyl-4,6-(S)-HHDP-β-D-glucopyranose
C29H24O17· 5/2H2O     相似度:53.3%
Chemical & Pharmaceutical Bulletin          2001          49(7)          887-892
Caffeoyl, Coumaroyl, Galloyl, and Hexahydroxydiphenoyl Glucoses from Balanophora japonica
Zhi-Hong JIANG, Yoko HIROSE, Hiromi IWATA, Saori SAKAMOTO, Takashi TANAKA, and Isao KOUNO
Structure      13C NMR   碳谱模拟图

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26 .     globoidnan A
C26H20O10     相似度:53.3%
Phytochemistry          2004          65          3255-3259
Globoidnan A: a lignan from Eucalyptus globoidea inhibits HIV integrase
Simon P.B. Ovenden, Jin Yu, Soo San Wan, Gian Sberna, R. Murray Tait a,David Rhodes, Susan Cox, Jonathan Coates, Neville G. Walsh,Barbara M. Meurer-Grimes
Structure      13C NMR   碳谱模拟图

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27 .     dimethyl penta-O-methylmelidate A
    相似度:53.3%
Chemical & Pharmaceutical Bulletin          1993          41          1608-1611
Melitric Acids A and B, New Trimeric Caffeic Acid Derivatives from Melissa officinalis
Isao AGATA,Hijiri KUSAKABE,Tsutomu HATANO,Sansei NISHIBE and Takuo OKUDA
Structure      13C NMR   碳谱模拟图

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28 .     isoacteoside
    相似度:53.3%
Chemical & Pharmaceutical Bulletin          1991          39          927-929
Phenolic Glycosides from Nuo-Mi-Xang-Cao, a Chinese Acanthaceous Herb
Ryoji KASAI,Katsuki OGAWA,Kazuhiro OHTANI,Jing-Kai DING,Pei-Qiong CHEN,Chen-Ji FEI and Osamu TANAKA
Structure      13C NMR   碳谱模拟图

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29 .     compound 17
C34H22O21     相似度:53.3%
Chemical & Pharmaceutical Bulletin          1990          38          2424-2428
Tannins and Related Compounds. C. : Reaction of Dehydrohexahydroxydiphenic Acid Esters with Bases, and Its Application to the Structure Determination of Pomegranate Tannins, Granatins A and B
Takashi TANAKA,Gen-ichiro NONAKA and Itsuo NISHIOKA
Structure      13C NMR   碳谱模拟图

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30 .     lithospermic acid B
C36H30O16     相似度:53.3%
Chemical & Pharmaceutical Bulletin          1989          37          340-344
Magnesium and Ammonium-Potassium Lithospermates B, the Active Principles Having a Uremia-Preventive Effect from Salvia miltiorrhiza
Takashi TANAKA,Satoshi MORIMOTO,Gen-ichiro NONAKA,Itsuo NISHIOKA,Takako YOKOZAWA,Hae Young CHUNG and Hikokichi OURA
Structure      13C NMR   碳谱模拟图

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31 .     agrimonic acid A
    相似度:53.3%
Chemical & Pharmaceutical Bulletin          1984          32          2165-2173
Tannins of Rosaceous Medicinal Plants. I. Structures of Potentillin, Agrimonic Acids A and B, and Agrimoniin, a Dimeric Ellagitannin
TAKUO OKUDA,TAKASHI YOSHIDA,MASAAKI KUWAHARA,M.USMAN MEMON and TETSURO SHINGU
Structure      13C NMR   碳谱模拟图

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32 .     rhaponticin 2''-O-p-coumarate
C30H30O11     相似度:53.3%
Chemical & Pharmaceutical Bulletin          1984          32          3501-3517
Studies on Rhubarb (Rhei Rhizoma). VI. Isolation and Characterization of Stilbenes
YOSHIKI KASHIWADA,GENICHIRO NONAKA and ITSUO NISHIOKA
Structure      13C NMR   碳谱模拟图

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33 .     Plantainoside D
    相似度:53.3%
Molecules          2008          13          2049-2057
New secoiridoid Glycosides from the Roots of Picrorhiza Scrophulariiflora
Lian-Chun Zou, Tong-Fei Zhu, Hua Xiang, Lu Yu, Zhi-Hui Yan, Shu-Cai Gan, Da-Cheng Wang, Sheng Zeng and Xu-Ming Deng
Structure      13C NMR   碳谱模拟图

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34 .     compound 4
    相似度:53.3%
Molecules          2009          14          1324-1331
New Phenylethanoid Glycosides from the Fruits of Forsythia Suspense (Thunb.) Vahl
Fu Nan Wang, Zhi Qiang Ma, Ying Liu, Ying Zhi Guo and Zhong Wei Gu
Structure      13C NMR   碳谱模拟图

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35 .     3,4-di-O-caffeoyl quinic acid methyl ester
    相似度:53.3%
China Journal of Chinese Materia Medica          2009          34          2346-2348
Caffeoylquinic acid derivatives from leaves of Lonicera japonica
MA Junli, LINing, LIXian
Structure      13C NMR   碳谱模拟图

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36 .     isacteoside
    相似度:53.3%
China Journal of Chinese Materia Medica          2006          31          2052-2054
Study on chemical constituents of mangrove Acanthus ilicifolius
HUO Changhong, WANG Bin, LIANG Hong, ZHAO Yuying, LIN Wenhan
Structure      13C NMR   碳谱模拟图

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37 .     forsythiaside
    相似度:53.3%
China Journal of Chinese Materia Medica          2003          28          43-49
Isolation and Elucidation of Chemical Constituents with Antiviral Action from Yinqiaosan on Influenza Virus
SHI Yue, SHI Renbing, LIU Bin, LU Yunru, DU Lijun
Structure      13C NMR   碳谱模拟图

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38 .     isoacteoside
    相似度:53.3%
China Journal of Chinese Materia Medica          1997          22          613-615
Phenylethanoid Glucosides from Flos Buddlejae
Li Jiaoshe , Zhao Yuying , Wang Bin and Cui Jingrong
Structure      13C NMR   碳谱模拟图

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39 .     1,5-di-O-caffeoylquinic acid
    相似度:53.3%
Fitoterapia          2000          71          587-589
Major dicaffeoylquinic acids from Artemisia vulgaris
Andrée Carnat, Annie Heitz, Didier Fraisse,André-Paul Carnat, Jean-Louis Lamaison
Structure      13C NMR   碳谱模拟图

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40 .     isoacteoside
    相似度:53.3%
Phytochemistry          1991          30          1341-1344
Phenylpropanoid and iridoid glycosides from Pedicularis striata
Liu Zimin, Jia Zhongjian
Structure      13C NMR   碳谱模拟图

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41 .     β-(3,4-dihydroxyphenyl)ethyl-O-α-rhamnopyranosyl-(1→4)-2-O-(E)-caffeoyl-α-arabinopyranoside
C28H34O14     相似度:53.3%
Zeitschrift für Naturforschung B          2008          63b          90-94
A Phenylethanoid Glycoside and Other Constituents from the Fruits of Forsythia koreana
Samy K. El-Desouky and Young-Kyoon Kim
Structure      13C NMR   碳谱模拟图

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42 .     4-O-8'/4'-O-8''-Didehydrotriferulic acid (Triferulic acid)
C30H24O12     相似度:53.3%
Fitoterapia          2011          82          950-954
Irbic acid, a dicaffeoylquinic acid derivative from Centella asiatica cell cultures
Fabiana Antognoni, Nicoletta Crespi Perellino, Sergio Crippa, Roberto Dal Toso, Bruno Danieli, Anacleto Minghetti, Ferruccio Poli, Giovanna Pressi
Structure      13C NMR   碳谱模拟图

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43 .     Maackin
    相似度:53.3%
Bioorganic & Medicinal Chemistry          2011          19          5085-5092
Dimerization of piceatannol by Momordica charantia peroxidase and α-glucosidase inhibitory activity of the biotransformation products
Xiang Wan, Xiao-Bing Wang, Ming-Hua Yang, Jun-Song Wang, Ling-Yi Kong
Structure      13C NMR   碳谱模拟图

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44 .     (E)-3,5,3',4'-tetrahydroxystilbene 3-O-β-D-(6-O-galloyl)glucopyranoside
C27H26O13     相似度:53.3%
Chemical & Pharmaceutical Bulletin          2006          54          136-138
Studies on Nepalese Crude Drugs. XXVIII. Chemical Constituents of Bhote Khair, the Underground Parts of Eskemukerjea megacarpum HARA
Yukinori Miyaichi, Norihisa Nunomura, Yukio Kawata, Haruhisa Kizu, Tsuyoshi Tomimori, Takashi Watanabe, Akihito Takano and Kuber Jung Malla
Structure      13C NMR   碳谱模拟图

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45 .     compound 3
    相似度:53.3%
Phytochemistry          1987          26          2418-2420
Acylated luteolin glucosides from Salix gilgiana
Mizuo Mizuno,Masaya Kato,Munekazu Iinuma,Toshiyuki Tanaka,Arika Kimura,Hiroyoshi Ohashi,Hideki Sakai
Structure      13C NMR   碳谱模拟图

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46 .     luteolin 7-O-(6''-acetyl)-β-D-glucopyranoside
    相似度:53.3%
Phytochemistry          1987          26          2418-2420
Acylated luteolin glucosides from Salix gilgiana
Mizuo Mizuno,Masaya Kato,Munekazu Iinuma,Toshiyuki Tanaka,Arika Kimura,Hiroyoshi Ohashi,Hideki Sakai
Structure      13C NMR   碳谱模拟图

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47 .     Verbascoside
    相似度:53.3%
Phytochemistry          1982          21          1123-1127
Structures of verbascoside and orobanchoside, caffeic acid sugar esters from Orobanche rapum-genistae
C. Andary, R. Wylde, C. Laffite, G. Privat, F. Winternitz
Structure      13C NMR   碳谱模拟图

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48 .     Sebestenoid A
C27H22O10     相似度:53.3%
Phytochemistry          2010          71          2168-2173
Sebestenoids A–D, BACE1 inhibitors from Cordia sebestena
Jingqiu Dai, Analia Sorribas, Wesley Y. Yoshida, Philip G. Williams
Structure      13C NMR   碳谱模拟图

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49 .     Sebestenoid B
C27H22O10     相似度:53.3%
Phytochemistry          2010          71          2168-2173
Sebestenoids A–D, BACE1 inhibitors from Cordia sebestena
Jingqiu Dai, Analia Sorribas, Wesley Y. Yoshida, Philip G. Williams
Structure      13C NMR   碳谱模拟图

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50 .     luteolin-7-O-(6''-O-coumaroyl)-β-D-glucopyranoside
    相似度:53.3%
Fitoterapia          2010          81          799-802
Anti-HBV active flavone glucosides from Euphorbia humifusa Willd.
Ying Tian, Li-Min Sun, Xi-Qiao Liu, Bin Li, Qiong Wang, Jun-Xing Dong
Structure      13C NMR   碳谱模拟图
绳命是入次的井猜
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zhongyaohuaxue: 金币+5, ★★★★★最佳答案 2012-08-17 12:55:09
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
103.9,108.2,110.1,110.8,119.6,121.1,123.0,126.4,127.0,127.1,136.1,140.9,142.5,144.8,148.0,167.5  
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值  
匹配容差: (数字格式,可自行设定)
相似度:  %(相似度>=50%)  




查询结果:共查到886个化合物(查询结果仅供参考)  
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1 .     compound 13b
C19H16N2O4     相似度:68.7%
Journal of Heterocyclic Chemistry          2009          46          737-741
Utilization of 2-benzofuran carboxylic acid hydrazide in the synthesis of 1,3,4-oxadiazole derivatives
Yu-Xia Da,Zhi Yang,Zheng-Jun Quan,Zhang Zhang and Xi-Cun Wang
Structure      13C NMR   碳谱模拟图

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2 .     mongolicumin A
C18H10O8     相似度:66.6%
Chinese Chemical Letters          2007          18          1367-1370
Four new constituents from Taraxacum mongolicum
Shu Yun Shi, Qi Zhou Hua Peng, Chang Xin Zhou, Ming Hui Hu, Qiao Feng Tao , Xiao Jiang Hao , Joachim Stockigt, Yu Zhao
Structure      13C NMR   碳谱模拟图

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3 .     mongolicumin A
C18H10O8     相似度:66.6%
Chinese Chemical Letters          2007          18          1367-1370
Four new constituents from Taraxacum mongolicum
Shu Yun Shi, Qi Zhou, Hua Peng, Chang Xin Zhou, Ming Hui Hu, Qiao Feng Tao, Xiao Jiang Hao, Joachim Stockigt, Yu Zhao
Structure      13C NMR   碳谱模拟图

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4 .     mongolicumin A
C18H10O8     相似度:66.6%
China Journal of Chinese Materia Medica          2008          33          1147-1157
Studies on chemical constituents from herbs of Taraxacum mongolicum
SHI Shuyun, ZHOU Changxin, XU Yan, TAO Qiaofeng, BAI Hua, LU Fusheng, LIN Wenyan, CHEN Haiyong, ZHENG Wei, WANG Liwei, WU Yihang, ZENG Su, HUANG Kexin, ZHAO Yu, LI Xiaokun, QU Jia
Structure      13C NMR   碳谱模拟图

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5 .     (2E)-3-[4-(1-Benzyl-1H-indazol-3-yl)phenyl]acrylic acid
C23H18N2O2     相似度:66.6%
Bioorganic & Medicinal Chemistry          2008          16          1262-1278
Synthesis and antiplatelet activity of ethyl 4-(1-benzyl-1H-indazol-3-yl)benzoate (YD-3) derivatives
Hua-Sin Chen, Sheng-Chu Kuo, Che-Ming Teng, Fang-Yu Lee, Jih-Pyang Wang, Yu-Chun Lee, Chiung-Wen Kuo, Ching-Che Huang, Chin-Chung Wu, Li-Jiau Huang
Structure      13C NMR   碳谱模拟图

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6 .     mongolicumin A
C18H10O8     相似度:66.6%
Food Chemistry          2008          108          402-406
Application of preparative high-speed counter-current chromatography for separation and purification of lignans from Taraxacum mongolicum
Shuyun Shi, Yuping Zhang, Kelong Huang, Suqin Liu, Yu Zhao
Structure      13C NMR   碳谱模拟图

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7 .     3-(1H-benzoimidazol-2-yl)-2-chloro-7-methyl-quinoline
C17H12N3Cl     相似度:64.7%
Canadian Journal of Chemistry          2009          87          1692-1703
Benzimidazole quinoline derivatives - An effective green fluorescent dye for bacterial imaging
Mahalingam Malathi, Palathurai Subramaniam Mohan, Raymond J. Butcher, and Chidambaram Kulandaisamy Venil
Structure      13C NMR   碳谱模拟图

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8 .     2-chloro-3-(1-methyl-1H-indol-3-yl)quinoxaline
C17H12N3Cl     相似度:64.7%
Bioorganic & Medicinal Chemistry          2012          20          1711-1722
AlCl3 induced (hetero)arylation of 2,3-dichloroquinoxaline: A one-pot synthesis of mono/disubstituted quinoxalines as potential antitubercular agents
K. Shiva Kumar, D. Rambabu, Sandhya Sandra, Ravikumar Kapavarapu, G. Rama Krishna, M.V. Basaveswara Rao, Kiranam Chatti, C. Malla Reddy, Parimal Misra, Manojit Pal
Structure      13C NMR   碳谱模拟图

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9 .     granulatimide
    相似度:62.5%
Journal of Natural Products          2001          64          254-255
Granulatimide and 6-Bromogranulatimide, Minor Alkaloids of the Brazilian Ascidian Didemnum granulatum
Robert Britton, Jaine H. H. L. de Oliveira, Raymond J. Andersen, and Roberto G. S. Berlinck
Structure      13C NMR   碳谱模拟图

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10 .     aristolactam AⅡ
    相似度:62.5%
China Journal of Chinese Materia Medica          1999          24         
Chemical Constituents of Saururus chinensis (Lour.) Bail
Li Renjiu, Ren Lijuan and Chen Yuwu
Structure      13C NMR   碳谱模拟图

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11 .     aristololactam A II
    相似度:62.5%
Acta Pharmaceutica Sinica          2007          Vol 42          405-407
Amides from the stems of Uvaria kweichowensis
XU Qiong-ming; LIU Yan-li; ZHAO Bao-hua; XU Li-zhen; YANG Shi-lin
Structure      13C NMR   碳谱模拟图

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12 .     aristolactam AII
C16H11NO3     相似度:62.5%
Korean Journal of Pharmacognosy          1993          24(1)          32-37
Aristolactam Derivatives and Their N-Glycosides from Aristolochia contorta
Lee, Heum-Sook; Han, Dae-Suk
Structure      13C NMR   碳谱模拟图

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13 .     N1-(6-Chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
C20H16ClN3O     相似度:62.5%
Bioorganic & Medicinal Chemistry          2011          19          3312-3319
Exploration of acridine scaffold as a potentially interesting scaffold for discovering novel multi-target VEGFR-2 and Src kinase inhibitors
Xudong Luan,Chunmei Gao, Nannan Zhang , Yuzong Chen, Qinsheng Sun ,Chunyan Tan , Hongxia Liu , Yibao Jin, Yuyang Jiang
Structure      13C NMR   碳谱模拟图

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14 .     compound 13d
C18H13ClN2O3     相似度:62.5%
Journal of Heterocyclic Chemistry          2009          46          737-741
Utilization of 2-benzofuran carboxylic acid hydrazide in the synthesis of 1,3,4-oxadiazole derivatives
Yu-Xia Da,Zhi Yang,Zheng-Jun Quan,Zhang Zhang and Xi-Cun Wang
Structure      13C NMR   碳谱模拟图

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15 .     compound 13f
C18H13N3O5     相似度:62.5%
Journal of Heterocyclic Chemistry          2009          46          737-741
Utilization of 2-benzofuran carboxylic acid hydrazide in the synthesis of 1,3,4-oxadiazole derivatives
Yu-Xia Da,Zhi Yang,Zheng-Jun Quan,Zhang Zhang and Xi-Cun Wang
Structure      13C NMR   碳谱模拟图

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16 .     1-(2'-pyrrolyl)methyl-2-(2''-pyrrolyl)benzimidazole
C16H14N4     相似度:62.5%
Heterocycles          2006          68          967-974
Application of Sulfamic Acid as an Eco-friendly Catalyst in an Expedient Synthesis of Benzimidazoles
Manas Chakrabarty,* Sulakshana Karmakar, Ajanta Mukherji, Shiho Arima, and Yoshihiro Harigaya
Structure      13C NMR   碳谱模拟图

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17 .     Methyl carbazole-3-carboxylate
C14H11NO2     相似度:62.5%
Archives of Pharmacal Research          2010          33          675-680
Biological activity of chemical constituents from Clausena harmandiana
Tula Thongthoom, Uraiwan Songsiang, Chanokbhorn Phaosiri and Chavi Yenjai
Structure      13C NMR   碳谱模拟图

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18 .     7-Methyl-7H-indolo[2,3-c]quinoline
    相似度:62.5%
Tetrahedron Letters          2004          45          1299-1300
An unexpected rearrangement of 3-unsubstituted-2-acyl substituted indole phenylhydrazones. A new method for benz[c]β-carboline synthesis
Olga V. Baranova, Sergey V. Dubovitskii
Structure      13C NMR   碳谱模拟图

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19 .     4-(2-amino-5-(thiophen-3-yl)pyridin-3-yl)-Nmethylbenzamide
C17H15N3OS     相似度:62.5%
Bioorganic & Medicinal Chemistry          2010          18          707-718
Identification and characterisation of 2-aminopyridine inhibitors of checkpoint kinase 2
Stephen Hilton, Sebastien Naud, John J. Caldwell, Kathy Boxall, Samantha Burns, Victoria E. Anderson, Laurent Antoni, Charlotte E. Allen, Laurence H. Pearl, Antony W. Oliver, G. Wynne Aherne, Michelle D. Garrett, Ian Collins
Structure      13C NMR   碳谱模拟图

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20 .     (Z)-3-(4-diethylamino-benzylidene)-5-nitro-1,3-dihydroindol-2-one
    相似度:62.5%
Bioorganic & Medicinal Chemistry          2010          18          1482-1496
Synthesis, structure–activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors
Luca Mologni, Roberta Rostagno, Stefania Brussolo, Phillip P. Knowles, Svend Kjaer, Judith Murray-Rust, Enrico Rosso, Alfonso Zambon, Leonardo Scapozza, Neil Q. McDonald, Vittorio Lucchini, Carlo Gambacorti-Passerini
Structure      13C NMR   碳谱模拟图

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21 .     aristololactam A II
    相似度:62.5%
Chinese Journal of Natural Medicines          2011          9          425-428
Alkaloids from Houttuynia cordata and Their Antiplatelet Aggregation Activities
Wei QU, Fei-Hua WU, Juan LI, Jing-Yu LIANG
Structure      13C NMR   碳谱模拟图

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22 .     8-methyl-5,10-dihydroindeno[1,2-b]indole
    相似度:62.5%
Journal of Heterocyclic Chemistry          2011          48          1095-1102
One-pot-one-step, microwave-assisted Fischer indole synthesis
Evelyn Cuevas Creencia, Masayuki Tsukamoto and Takaaki Horaguchi
Structure      13C NMR   碳谱模拟图

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23 .     2-chloro-3-(5-chloro-1H-indol-3-yl)quinoxaline
C16H9N3Cl2     相似度:62.5%
Bioorganic & Medicinal Chemistry          2012          20          1711-1722
AlCl3 induced (hetero)arylation of 2,3-dichloroquinoxaline: A one-pot synthesis of mono/disubstituted quinoxalines as potential antitubercular agents
K. Shiva Kumar, D. Rambabu, Sandhya Sandra, Ravikumar Kapavarapu, G. Rama Krishna, M.V. Basaveswara Rao, Kiranam Chatti, C. Malla Reddy, Parimal Misra, Manojit Pal
Structure      13C NMR   碳谱模拟图

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24 .     diethyl {[(3E)-1-benzyl-2-oxoindolin-3-ylidene]methyl}phosphonate
C20H22NO4P     相似度:62.5%
European Journal of Organic Chemistry          2011                   385-391
Synthesis of Aziridine- and Oxirane-2-phosphonates Spiro-Fused with Oxindoles
Tecla Gasperi, M. Antonietta Loreto, Antonella Migliorini and Claudia Ventura
Structure      13C NMR   碳谱模拟图

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25 .     Compound 12
    相似度:60%
Magnetic Resonance in Chmesitry          2001          39          637-640
NMR analysis of a series of photochromic pyranocarbazoles
M. Manuel Oliveira, Luis M. Carvalho, Corinne Moustrou, André Samat, Robert Guglielmetti and Ana M. F. Oliveira-Campos
Structure      13C NMR   碳谱模拟图

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26 .     2,8-dihydroxy-3,4,7-trimethoxy-9,10-dihydrophenanthrene
C17H18O5     相似度:58.8%
Journal of Natural Products          2007          70          1925-1929
Antifibrotic Phenanthrenes of Dendrobium nobile Stems
Hyekyung Yang, Sang Hyun Sung, and Young Choong Kim
Structure      13C NMR   碳谱模拟图

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27 .     methyl quindoline-11-carboxylate
C17H12N2O2     相似度:58.8%
Journal of Natural Products          1999          62          976-983
Synthesis and Biological Evaluation of Analogues of Cryptolepine, an Alkaloid Isolated from the Suriname Rainforest
Shu-Wei Yang, Maged Abdel-Kader, Stan Malone, Marga C. M. Werkhoven, Jan H. Wisse, Isia Bursuker, Kim Neddermann, Craig Fairchild, r Carmen Raventos-Suarez, Ana T. Menendez, Kate Lane, and David G. I. Kingston
Structure      13C NMR   碳谱模拟图

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28 .     4-Methylene-3-[N-(4-chlorophenyl)amino]-3,4-dihydro-2H-naphth[1,2-e]-1,3-oxazine-2-one
C19H13Cl N2O2     相似度:58.8%
Molecules          2009          14          2147-2159
Cyclization of Hydrazones of 2-Acetyl-1-naphthol and 1-Acetyl-2-naphthol with Triphosgene. Synthesis of Spiro Naphthoxazine Dimers
Abdullah Saad Al-Bogami, Abdullah Mohammed Al-Majid, Mohammed Ali Al-Saad, Ahmed Amine Mousa, Sara Abdullah Al-Mazroa and Hamad Zaid Alkhathlan
Structure      13C NMR   碳谱模拟图

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29 .     cepharanone B
    相似度:58.8%
Journal of Natural Products          1990          Vol 53          309
Chemistry of Saururus cernuus, V. Sauristolactam and Other Nitrogenous Constituents
Koppaka V. Rao, G. C. S. Reddy
Structure      13C NMR   碳谱模拟图

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30 .     cepharanone
    相似度:58.8%
Acta Pharmaceutica Sinica          2007          Vol 42          405-407
Amides from the stems of Uvaria kweichowensis
XU Qiong-ming; LIU Yan-li; ZHAO Bao-hua; XU Li-zhen; YANG Shi-lin
Structure      13C NMR   碳谱模拟图

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31 .     2,4,6-tris[3,5-bis(1-N-indolyl)-4'-biphenyl]-1,3,5-triazine
C87H57N9     相似度:58.8%
Canadian Journal of Chemistry          2006          84          477-485
7-Azaindolyl- and indolyl-functionalized starburst molecules with a 1,3,5-triazine or a benzene core -Syntheses and luminescence1
Wei-Hua Huang, Wen-Li Jia, and Suning Wang
Structure      13C NMR   碳谱模拟图

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32 .     3-bromo-4-(4"-chlorophenyl)amino-2-phenylquinoline
C21H14N235ClBr     相似度:58.8%
Journal of Heterocyclic Chemistry          2006          43          255-260
Synthesis and further studies of chemical transformation of the 2-aryl-3-halogenoquinolin-4(1H)-one derivatives
Malose J. Mphahlele,Mutshinyalo S. Nwamadi and Peace Mabeta
Structure      13C NMR   碳谱模拟图

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33 .     4-[3-(4-Chlorophenyl)-5-trifluoromethyl-1H-pyrazol-1-yl]-7- chloroquinoline
C19H10Cl2F3N3     相似度:58.8%
Journal of Heterocyclic Chemistry          2005          42          1055-1061
An efficient and regiospecific preparation of trifluoromethyl substituted 4-( 1H-pyrazol-1-yl)-7-chloroquinolines
Helio G. Bonacorso,Cleber A. Cechinel,Marli R. Oliveira,Michelle B. Costa,Marcos A. P. Martins,Nilo Zanatta and Alex F. C. Flores
Structure      13C NMR   碳谱模拟图

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34 .     2,6-Bis(4-cyanophenyl)-imidazo[1,2-a]pyridine
C21H12N4     相似度:58.8%
Bioorganic & Medicinal Chemistry          2008          16          683-691
Synthesis and antiprotozoal activity of novel bis-benzamidinoimidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines
Mohamed A. Ismail,Reem K. Arafa,Tanja Wenzler,Reto Brun,Farial A. Tanious,W. David Wilsona and David W. Boykin
Structure      13C NMR   碳谱模拟图

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35 .     3-(2-methyl-1H-indol-3-yl)-2-(mercapto(phenylamino)methylene)-3-oxo-propionitrile
C19H15N3OS     相似度:58.8%
Zeitschrift für Naturforschung B          2010          65          1491-1497
Synthesis of New 3-Substituted Indole Derivatives
H. M. E. Hassaneen and R. M. Pagni
Structure      13C NMR   碳谱模拟图

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36 .     N-(Methoxymethyl)indolo[3,2-c]quinoline
C17H14N2O     相似度:58.8%
Tetrahedron          2012          68          4274-4279
A novel total synthesis of isocryptolepine based on a microwave-assisted tandem Curtius rearrangement and aza-electrocyclic reaction Original Research Article
Kaori Hayashi, Tominari Choshi, Kyoko Chikaraishi, Aimi Oda, Rikako Yoshinaga, Noriyuki Hatae, Minoru Ishikura, Satoshi Hibino
Structure      13C NMR   碳谱模拟图

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37 .     3-(1H-Indol-3-ylmethylene)-5-nitro-1,3-dihydroindol-2-one
    相似度:58.8%
Bioorganic & Medicinal Chemistry          2010          18          1482-1496
Synthesis, structure–activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors
Luca Mologni, Roberta Rostagno, Stefania Brussolo, Phillip P. Knowles, Svend Kjaer, Judith Murray-Rust, Enrico Rosso, Alfonso Zambon, Leonardo Scapozza, Neil Q. McDonald, Vittorio Lucchini, Carlo Gambacorti-Passerini
Structure      13C NMR   碳谱模拟图

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38 .     cepharanone B
    相似度:58.8%
Natural Product Research and Development          1999          11(1)          44-47
THE CONSTITUNETS OF PIPER BOEHMERIAEFOLIUM VAR. TONKINENSE
Zhang Ke; Ni Wei; Chen Changxiang
Structure      13C NMR   碳谱模拟图

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39 .     aristololactam B II
    相似度:58.8%
Chinese Journal of Natural Medicines          2011          9          425-428
Alkaloids from Houttuynia cordata and Their Antiplatelet Aggregation Activities
Wei QU, Fei-Hua WU, Juan LI, Jing-Yu LIANG
Structure      13C NMR   碳谱模拟图

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40 .     1-(1-Methyl-1H-indol-3-yl)-3-phenyl-propenone
C18H15NO     相似度:58.8%
Bioorganic & Medicinal Chemistry          2011          19          6143-6148
Structural requirement of arylindolylpropenones as anti-bladder carcinoma cells agents
Véronique Martel-Frachet, Malika Kadri, Ahcène Boumendjel, Xavier Ronot
Structure      13C NMR   碳谱模拟图

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41 .     compound 3f
    相似度:57.8%
Chemistry of Natural Compounds          2004          40          585-590
DIASTEREOTOPIC SYNTHESIS OF 1- AND 1,1-SUBSTITUTED 4-PHENYL-2,3,4,9-TETRAHYDRO-1H-b-CARBOLINES
B. B. Semenov, K. A. Novikov, A. N. Spitsin,V. N. Azev, and V. V. Kachala
Structure      13C NMR   碳谱模拟图

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42 .     2-methyl-3-(3-indolyl)-1,4-naphthoquinone
C19H13O2N     相似度:57.8%
Journal of Heterocyclic Chemistry          2010          47          1447-1449
Reaction of 3-iodoindole with 1,4-naphthoquinones
Yasuhiro Tanoue, Takashi Teraoka, Norihisa Kai, Takeshi Nagai and Kazutoshi Ushio
Structure      13C NMR   碳谱模拟图

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43 .     Compound 1
    相似度:57.8%
Magnetic Resonance in Chmesitry          2001          39          637-640
NMR analysis of a series of photochromic pyranocarbazoles
M. Manuel Oliveira, Luis M. Carvalho, Corinne Moustrou, André Samat, Robert Guglielmetti and Ana M. F. Oliveira-Campos
Structure      13C NMR   碳谱模拟图

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44 .     Compound 3
    相似度:57.8%
Magnetic Resonance in Chmesitry          2001          39          637-640
NMR analysis of a series of photochromic pyranocarbazoles
M. Manuel Oliveira, Luis M. Carvalho, Corinne Moustrou, André Samat, Robert Guglielmetti and Ana M. F. Oliveira-Campos
Structure      13C NMR   碳谱模拟图

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45 .     compound 6
C62H40BF2N7O2Zn     相似度:57.8%
Tetrahedron          2012          68          830-840
Synthesis of non-covalent BODIPY–metalloporphyrin dyads and triads
Tamanna K. Khan, Mangalampalli Ravikanth
Structure      13C NMR   碳谱模拟图

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46 .     (7-dibenzylamino-9H-fluoren-2-yl)-thiourea
C28H25N3S     相似度:57.8%
Bioorganic & Medicinal Chemistry          2010          18          6414-6421
Synthesis, activity, and pharmacokinetic properties of a series of conformationally-restricted thiourea analogs as novel hepatitis C virus inhibitors
Iou-Jiun Kang, Li-Wen Wang, Teng-Kuang Yeh, Chung-Chi Lee, Yen-Chun Lee, Sheng-Ju Hsu, Yen-Shian Wu, Jing-Chyi Wang, Yu-Sheng Chao, Andrew Yueh, Jyh-Haur Chern
Structure      13C NMR   碳谱模拟图

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47 .     (7-benzylamino-9H-fluoren-2-yl)-thiourea
C21H19N3S     相似度:57.8%
Bioorganic & Medicinal Chemistry          2010          18          6414-6421
Synthesis, activity, and pharmacokinetic properties of a series of conformationally-restricted thiourea analogs as novel hepatitis C virus inhibitors
Iou-Jiun Kang, Li-Wen Wang, Teng-Kuang Yeh, Chung-Chi Lee, Yen-Chun Lee, Sheng-Ju Hsu, Yen-Shian Wu, Jing-Chyi Wang, Yu-Sheng Chao, Andrew Yueh, Jyh-Haur Chern
Structure      13C NMR   碳谱模拟图

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48 .     methyl 3-[2-(3-indolyl)ethyl]-2-(4-quinazolinone-3(4H)-yl)-propanoate
C20H17N3O3     相似度:57.8%
Bioorganic & Medicinal Chemistry          2009          17          2351-2359
Synthesis and vasodilator effects of rutaecarpine analogues which might be involved transient receptor potential vanilloid subfamily, member 1 (TRPV1)
Zhuo Chen, Gaoyun Hu, Dai Li, Jun Chen, Yuanjian Li, Huayong Zhou, Ye Xie
Structure      13C NMR   碳谱模拟图

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49 .     Ethyl 2-[(1H-indol-3-yl)methyl]-5-amino-3-(phenylamino)-pyridine-4-carboxylate
C23H22N4O2     相似度:57.1%
Bioorganic & Medicinal Chemistry          2011          19          2966-2974
Development of new indole-derived neuroprotective agents
Rafat M. Mohareb,Hanaa H. Ahmed,Gamal A. Elmegeed , Mervat M. Abd-Elhalim ,Reham W. Shafic
Structure      13C NMR   碳谱模拟图

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50 .     6-hydroxy-2-(2-hydroxy-2-phenylethyl)chromone
C17H14O4     相似度:56.2%
Chemical & Pharmaceutical Bulletin          2003          51(5)          560-564
Four New 2-(2-Phenylethyl)chromone Derivatives from Withered Wood of Aquilaria sinensis
Toru YAGURA,Michiho ITO, Fumiyuki KIUCHI,Gisho HONDA,and Yasuo SHIMADA
Structure      13C NMR   碳谱模拟图
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