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myvalerie

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[求助] 微谱数据库查询一个化合物

18.63,26.18,65.87,101.21,101.56,108.76,110.12,115.69,118.42,118.77,122.81,
125.30,125.91,127.97,130.55,139.95,147.99,152.96,158.35,163.80,175.00

模糊查询,相似度大于50%
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1 .     3',4'-methylenedioxy-7-O-[(E)-3,7-dimethyl-2,6-octa-dienyl]isoflavone
C26H26O5     相似度:73.0%
Phytochemistry          1997          46          591-593
An O-geranylated isoflavone from Millettia griffoniana
Emmauel Yankep, Z. T. Fomum, Ermias Dagne
Structure      13C NMR   碳谱模拟图
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2楼2012-07-15 13:47:13
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【答案】应助回帖

感谢参与,应助指数 +1
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3楼2012-07-15 14:00:39
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【答案】应助回帖

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myvalerie: 金币+15, 有帮助, thanks! 2012-07-15 20:36:05
查询结果:共查到164个化合物(查询结果仅供参考)  
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1 .     3',4'-methylenedioxy-7-O-[(E)-3,7-dimethyl-2,6-octa-dienyl]isoflavone
C26H26O5     相似度:73.0%
Phytochemistry          1997          46          591-593
An O-geranylated isoflavone from Millettia griffoniana
Emmauel Yankep, Z. T. Fomum, Ermias Dagne
Structure      13C NMR   碳谱模拟图

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2 .     7-(allyloxy)-3-(benzo[d][1,3]dioxol-5-yl)-4H-chromen-4-one
C19H14O5     相似度:71.4%
Bioorganic & Medicinal Chemistry          2010          18          249-266
The synthesis and evaluation of flavone and isoflavone chimeras of novobiocin and derrubone
Jared R. Mays, Stephanie A. Hill, Justin T. Moyers, Brian S.J. Blagg
Structure      13C NMR   碳谱模拟图

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3 .     2',3-dihydroxy-4-methoxy-4'-γ,γ-dimethylallyloxychalcone
C21H22O5     相似度:61.9%
Phytochemistry          2006          67          812-817
Flavonoids from the pods of Millettia erythrocalyx
Boonchoo Sritularak, Kittisak Likhitwitayawuid
Structure      13C NMR   碳谱模拟图

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4 .     7-methoxy-3',4'-methylenedioxyisoflavone
C17H12O5     相似度:61.9%
Journal of Natural Products          2003          66          210-216
Six New Isoflavones and a 5-Deoxyflavonol Glycoside from the Leaves of Ateleia herbert-smithii
Nigel C. Veitch, Polly S. E. Sutton, Geoffrey C. Kite, and Helen E. Ireland
Structure      13C NMR   碳谱模拟图

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5 .     nordurlettone
C20H18O4     相似度:61.9%
Phytochemistry          1990          29          2671-2673
O-Geranylated and O-prenylated flavonoids from Millettia ferruginea
Ermias Dagne,Amha Bekele,Hi Noguchi,Masaki Shibuya,Ushio Sankawa
Structure      13C NMR   碳谱模拟图

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6 .     Hippadine
C16H9NO3     相似度:61.9%
Phytochemistry          1981          20          2003-2007
Alkaloids of Crinum pratense
Shibnath Ghosal, Potharaju H. Rao, Dinesh K. Jaiswal, Yatendra Kumar, August W. Frahm
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




7 .     3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-6-(3-methylbut-2-enyl)-4H-chromen-4-one
C21H17NO5     相似度:61.9%
Bioorganic & Medicinal Chemistry          2010          18          249-266
The synthesis and evaluation of flavone and isoflavone chimeras of novobiocin and derrubone
Jared R. Mays, Stephanie A. Hill, Justin T. Moyers, Brian S.J. Blagg
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




8 .     3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-8-(3-methylbut-2-enyl)-4H-chromen-4-one
C21H18O5     相似度:61.9%
Bioorganic & Medicinal Chemistry          2010          18          249-266
The synthesis and evaluation of flavone and isoflavone chimeras of novobiocin and derrubone
Jared R. Mays, Stephanie A. Hill, Justin T. Moyers, Brian S.J. Blagg
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




9 .     (E)-1-[2-hydroxy-4-(3-methylbut-2-enyloxy)phenyl]-3-(3-hydroxy-4-methoxyphenyl) prop-2-en-1-one
C21H22O5     相似度:61.9%
Bioorganic & Medicinal Chemistry          2011          19          7711-7719
Structure–activity relationships of chalcone analogs as potential inhibitors of ADP- and collagen-induced platelet aggregation
M. Vijaya Bhaskar Reddy, Wei-Jern Tsai, Keduo Qian, Kuo-Hsiung Lee, Tian-Shung Wu
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




10 .     conrauinone D
C25H26O4     相似度:60%
Phytochemistry          1998          47          113-115
Conrauinones C and D, two isoflavones from stem bark of Millettia conraui
Victorine Fuendjiep, Augustin E. Nkengfack, Z. Tanee Fomum, B. L. Sondengam, B. Bodo
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




11 .     erylatissin B
C20H16O5     相似度:57.1%
Phytochemistry          2005          66          99-104
Antimicrobial and radical scavenging flavonoids from the stem wood of Erythrina latissima
Musa Chacha, Gomotsang Bojase-Moleta, Runner R.T. Majinda
Structure      13C NMR   碳谱模拟图

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12 .     hippadine
    相似度:57.1%
Planta Medica          1981          43          407-409
Phytochemical Investigation of Hippeastrum vittatum Growing in Egypt Part III: Structural Elucidation of Hippadine
A. A. Ali, M. K. Mesbah and A. W. Frahm
Structure      13C NMR   碳谱模拟图

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13 .     caledonixanthone K
C18H16O5     相似度:57.1%
Molecules          2002          7          38-50
Thirteen New Xanthone Derivatives from Calophyllum caledonicum (Clusiaceae)
Cécile Morel, Anne-Emmanuelle Hay, Marc Litaudon, Thierry Sévenet, Denis Séraphin, Jean Bruneton and Pascal Richomme
Structure      13C NMR   碳谱模拟图

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14 .     1,7-Bis(2-pyridyloxy)naphthalene
    相似度:57.1%
Molecules          2006          11          684-692
Synthesis and Characterisation of Eight Isomeric Bis(2-pyridyloxy)naphthalenes
Brendan J. O’Keefe and Peter J. Steel
Structure      13C NMR   碳谱模拟图

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15 .     paeciloxanthone
C20H20O4     相似度:57.1%
Journal of Asian Natural Products Research          2008          10          133-137
Paeciloxanthone, a new cytotoxic xanthone from the marine mangrove fungus Paecilomyces sp. (Tree1-7)
LU WEN, YONG-CHENG LIN, ZHI-GANG SHE, DUN-SHUAI DU,WING-LAI CHAN and ZHONG-HUI ZHENG
Structure      13C NMR   碳谱模拟图

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16 .     7-hydroxy-3',4'-methylenedioxyisoflavone
    相似度:57.1%
China Journal of Chinese Materia Medica          2009          34          1238-1239
Studies on phenolic compounds from Sophora alopecuroides
WANG Guiyun, MA Chao
Structure      13C NMR   碳谱模拟图

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17 .     ψ-baptigenin
    相似度:57.1%
China Journal of Chinese Materia Medica          2008          33          1292-1294
Studies on Chemical Constituents of Oxytropis falcata
WANG Dong, YANG Huan, DAI Yan-peng, TONG Li, CAI Bao-chang
Structure      13C NMR   碳谱模拟图

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18 .     neobavaisoflavone
    相似度:57.1%
Phytochemistry          1994          35          521-526
An isoflavanone and a coumestan from Erythrina sigmoidea
Augustin E. Nkengfack, Jacques Kouam, Timothee W. Vouffo, Michele Meyer, Michael S. Tempesta, Z.Tanee Fomum
Structure      13C NMR   碳谱模拟图

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19 .     griffonianone G
C21H16O6     相似度:57.1%
Zeitschrift für Naturforschung B          2005          60b          973-977
Isoflavonoids from Seeds of Millettia griffoniana (Bail), 15
Dieudonne Ngamga, Emanuel Yankep, Pierre Tane, Merhatibeb Bezabih, Bonaventure T. Ngadjui, Zacharia T. Fomum, and Berhanu M. Abegaz
Structure      13C NMR   碳谱模拟图

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20 .     Isojamaicin
C22H18O6     相似度:57.1%
Zeitschrift für Naturforschung B          2005          60b          973-977
Isoflavonoids from Seeds of Millettia griffoniana (Bail), 15
Dieudonne Ngamga, Emanuel Yankep, Pierre Tane, Merhatibeb Bezabih, Bonaventure T. Ngadjui, Zacharia T. Fomum, and Berhanu M. Abegaz
Structure      13C NMR   碳谱模拟图

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21 .     lycoranine B
C18H13NO4     相似度:57.1%
Chemical & Pharmaceutical Bulletin          2009          57          610-611
Two New Amaryllidaceae Alkaloids from the Bulbs of Lycoris radiata
Lei Wang, Xiao-Qi Zhang, Zhi-Qi Yin, Ying Wang and Wen-Cai Ye
Structure      13C NMR   碳谱模拟图

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22 .     maxima isoflavone C
C22H50O6     相似度:57.1%
Phytochemistry          1984          23          1493-1501
Nine isoflavones from Tephrosia maxima
E.Venkata Rao, M.Sree Rama Murthy, Robert S. Ward
Structure      13C NMR   碳谱模拟图

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23 .     Pseudobaptigenin
    相似度:57.1%
Archives of Pharmacal Research          2004          27          589-592
Flavonoids from Spatholobus suberectus
Jeong Seon Yoon, Sang Hyun Sung, Jong Hee Park and Young Choong Kim
Structure      13C NMR   碳谱模拟图

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24 .     φ-baptigenin
    相似度:57.1%
Chinese Pharmaceutical Journal          2008          43          1292-1294
Studies on Chemical Constituents of Oxytropis falcata(Ⅱ)
WANG Dong, YANG Huan, DAI Yan-peng, TONG Li, CAI Bao-chang
Structure      13C NMR   碳谱模拟图

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25 .     compound 4i
C20H15O2N     相似度:57.1%
Chinese Journal of Medicinal Chemistry          2011          21          208-211
Facile two-step syntheses of 3-aryl-2-substituted benzofurans
ZHANG Jing*, WU Yu-hua, DUAN Xin-fang*, LIU Gang
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




26 .     1-(4-Phenyliminomethyl-phenoxymethyl)benzo[h]-chromen-2-one
C27H19NO3     相似度:57.1%
Archiv der Pharmazie          2010          343          237-247
Synthesis,in-vitro Antimicrobial and Cytotoxic Studies of Novel Azetidinone Derivatives
Rangappa S. Keri, Kallappa M. Hosamani, Harisha S. Reddy and Ramya V. Shingalapur
Structure      13C NMR   碳谱模拟图

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27 .     N-(4-Chlorophenyl)-2-(2-fluorophenyl)-5-ethyloxazolo[5,4-d]pyrimidin-7-amine
C18H12ClFN4O     相似度:57.1%
Tetrahedron          2012          68          4248-4251
Facile synthesis of 2,5,7-trisubstituted oxazolo[5,4-d]pyrimidines via copper-catalyzed intramolecular C–O bond formation Original Research Article
Dan Xu, Li-Ping Sun, Qi-Dong You
Structure      13C NMR   碳谱模拟图

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28 .     4-Oxo-2-phenyl-7-(m-tolyl)-4H-chromen-5-yl Trifluoromethanesulfonate
C23H15F3O5S     相似度:57.1%
European Journal of Organic Chemistry          2012                   1639-1652
Efficient Synthesis of Arylated Flavones by Site-Selective Suzuki–Miyaura Cross-Coupling Reactions of the Bis(triflate) of 5,7- and 7,8-Dihydroxyflavone
Nadi Eleya, Imran Malik, Sebastian Reimann, Kai Wittler, Martin Hein, Tamás Patonay, Alexander Villinger, Ralf Ludwig and Peter Langer
Structure      13C NMR   碳谱模拟图

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29 .     7-[4-(tert-Butyl)phenyl]-4-oxo-2-phenyl-4H-chromen-5-yl Trifluoromethanesulfonate
C26H21F3O5S     相似度:57.1%
European Journal of Organic Chemistry          2012                   1639-1652
Efficient Synthesis of Arylated Flavones by Site-Selective Suzuki–Miyaura Cross-Coupling Reactions of the Bis(triflate) of 5,7- and 7,8-Dihydroxyflavone
Nadi Eleya, Imran Malik, Sebastian Reimann, Kai Wittler, Martin Hein, Tamás Patonay, Alexander Villinger, Ralf Ludwig and Peter Langer
Structure      13C NMR   碳谱模拟图

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30 .     2'–hydroxy-2,3-dimethoxy-4'-O-prenylchalcone
C22H24O5     相似度:57.1%
Bioorganic & Medicinal Chemistry          2010          18          5807-5815
Design, synthesis, and biological evaluation of prenylated chalcones as 5-LOX inhibitors
Nimmanapalli P. Reddy, Polamarasetty Aparoy, T. Chandra Mohan Reddy, Chandrani Achari, P. Ramu Sridhar, Pallu Reddanna
Structure      13C NMR   碳谱模拟图
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4楼2012-07-15 14:04:49
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