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Rervia

金虫 (正式写手)

[求助] 求助微谱,非常感谢!

化合物1:33.7, 55.7, 99.8, 107.8,120.5, 127.0, 127.8, 129.4, 130.7, 131.1, 131.2, 139.3, 158.2, 159.6 溶剂是甲醇
化合物2:56.2, 100.1, 109.1, 121.4, 128.3, 129.3, 130.0, 131.2, 134.0, 136.7, 143.1, 162.8, 165.0, 192.6 溶剂是甲醇


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铁杆木虫 (著名写手)

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Rervia: 金币+15, ★★★很有帮助, 非常感谢! 2013-04-24 08:49:04
化合物1:

1 .     4-(3,4-dichlorophenylamino)-2-methylthio-6-phenylpyrimidine
C17H13Cl2N3S     相似度:71.4%
Journal of Heterocyclic Chemistry          2010          47          1056-1061
Facile synthesis of 2,4-diamino-6-alkyl- or 6-aryl-pyrimidine derivatives
Xihong Wang, Ramadas Sathunuru, Victor Melendez, Michael P. Kozar and Ai J. Lin
Structure      13C NMR   碳谱模拟图
2 .     Loureirin C
C16H16O4     相似度:64.2%
Journal of Asian Natural Products Research          2006          8          571-577
A new meta-homoisoflavane from the fresh stems of dracaena cochinchinensis
Q.-A. ZHENG, Y.-J. ZHANG and C.-R. YANG
Structure      13C NMR   碳谱模拟图
3 .     loureirin C
C16H16O4     相似度:64.2%
Journal of Natural Products          1988          Vol 51          129
Indoles in Edible Members of the Cruciferae Indoles in Edible Members of the Cruciferae
Monroe E. Wall, Harold Taylor, Premila Perera, Mansukh C. Wani
Structure      13C NMR   碳谱模拟图
4 .     5-methoxyflavone
    相似度:57.1%
Chemistry of Natural Compounds          1977          13          429-434
13C NMR SPECTRA OF 3- AND 5-SUBSTITUTED FLAVONE DERIVATIVES
G. A. Kaiabin, N. N. Pogodaeva,N. A. Tyukavklna, and D. F. Kushnarev
Structure      13C NMR   碳谱模拟图
5 .     1-(Bromomethyl)-3-(phenylmethoxy)-benzene
C14H13BrO     相似度:57.1%
Bioorganic & Medicinal Chemistry          2011          19          2888-2902
Synthesis, in silico docking experiments of new 2-pyrrolidinone derivatives and study of their anti-inflammatory activity
Panagiota Moutevelis-Minakakis , Eleni Papavassilopoulou,George Michas, Kalliopi Georgikopoulou,Maria-Eleni Ragoussi, Niki Neophytou ,Panagiotis Zoumpoulakis , Thomas Mavromoustakos ,Dimitra Hadjipavlou-Litina
Structure      13C NMR   碳谱模拟图
6 .     Pterostilbene
    相似度:57.1%
Heterocycles          2006          68          93-100
Determination of Absolute Structure of (+)-Davidiol A
Yue-Hua He, Yoshiaki Takaya, Kenji Terashima, and Masatake Niwa*
Structure      13C NMR   碳谱模拟图
7 .     trans-Resveratrol
    相似度:57.1%
Archives of Pharmacal Research          2002          25          293-299
Cytotoxic and antimutagenic stilbenes from seeds of Paeonia lactiflora
Hyo Jin Kim, Eun Ju Chang, Song Ja Bae, Sun Mi Shim and Heui Dong Park, et al.
Structure      13C NMR   碳谱模拟图
8 .     (Z)-5-[3,5-dimethoxyphenyl)-ethenyl]-2-methoxyben-zenamine hydrochloride
C17H20ClNO3     相似度:57.1%
Bioorganic & Medicinal Chemistry          2009          17          512-522
Design, synthesis and biological evaluation of novel stilbene-based antitumor agents
Daniele Simoni, Francesco Paolo Invidiata, Marco Eleopra, Paolo Marchetti, Riccardo Rondanin, Riccardo Baruchello, Giuseppina Grisolia, Ashutosh Tripathi, Glen E. Kellogg, David Durrant, Ray M. Lee
Structure      13C NMR   碳谱模拟图
9 .     4,4'-(2-sulfanyl-1H-imidazol-1,4-diyl)diphenol
C15H12N2O2S     相似度:57.1%
Bioorganic & Medicinal Chemistry          2008          16          6423-6435
Design, synthesis and biological evaluation of bis(hydroxyphenyl) azoles as potent and selective non-steroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) for the treatment of estrogen-dependent diseases
Emmanuel Bey, Sandrine Marchais-Oberwinkler, Patricia Kruchten, Martin Frotscher, Ruth Werth, Alexander Oster, Oztekin Algül, Alexander Neugebauer, Rolf W. Hartmann
Structure      13C NMR   碳谱模拟图
10 .     dictyobiphenyl A
C14H13NO3     相似度:57.1%
Tetrahedron          2012          68          8884-8889
Isolation, synthesis, and biological activity of biphenyl and m-terphenyl-type compounds from Dictyostelium cellular slime molds
Haruhisa Kikuchi, Yusuke Matsuo, Yasuhiro Katou, Yuzuru Kubohara, Yoshiteru Oshima
Structure      13C NMR   碳谱模拟图
11 .     (2R,3S)-1,4-diphenyl-2-hydroxy-3-aminobutane HCl
C16H20NOCl     相似度:57.1%
Journal of Medicinal Chemistry          1993          36          211-220
Development of selective tight-binding inhibitors of leukotriene A4 hydrolase
Wei Yuan, Benito Munoz, Chi Huey Wong, Jesper Z. Haeggstroem, Anders Wetterholm, Bengt Samuelsson
Structure      13C NMR   碳谱模拟图
12 .     (2S)-2-amino-3-phenyl-N-(2-propylphenyl)propanamide trifluoroacetate salt
C18H22N2O     相似度:56.2%
Bioorganic & Medicinal Chemistry          2011          19          7453-7463
New cholesterol esterase inhibitors based on rhodanine and thiazolidinedione scaffolds
Sabrina Heng, William Tieu, Stephanie Hautmann, Kevin Kuan, Daniel Sejer Pedersen, Markus Pietsch, Michael Gütschow, Andrew D. Abell
Structure      13C NMR   碳谱模拟图
13 .     3-hydroxy-5-methoxystilbene
    相似度:53.3%
Journal of Natural Products          2007          70          968-973
Stilbenes from the Orchid Phragmipedium sp.
Eliane Garo,Jin-Feng Hu, Matt Goering, Grayson Hough, Mark O’Neil-Johnson, and Gary Eldridge
Structure      13C NMR   碳谱模拟图
14 .     (E)-4-[(1E)-3-methyl-1-buten-1-yl]-3,5,-2',4'-tetrahydroxystilbene
    相似度:53.3%
Indian Journal of Chemistry          2010          49B          1264-1266
Artoindonesianin F,a potent tyrosinase inhibitor from the roots of Artocarpus heterophyllys Lam
G Venkateswara Rao*,T Mukhopadhyay& N Radhakrishnan
Structure      13C NMR   碳谱模拟图
15 .     1-methoxyanthracen-2-ol
C15H13O2     相似度:53.3%
Bulletin of the Korean Chemical Society          2006          27          995-1000
Novel Anthracene Derivatives Isolated from Rice Hulls of Oryza sativa and Their Growth Inhibitory Activity of Radish Seed
Ill-Min Chung, Yoong-Ho Lim, Mohd Ali, Shahnaz Sultana, Ateeque Ahmad*
Structure      13C NMR   碳谱模拟图
16 .     2-(4-methoxybenzyl)-2,3-dihydro-1H-inden-1-aminehydrochloride(other diastereomer)
C17H19NO     相似度:53.3%
Bioorganic & Medicinal Chemistry          2010          18          675-688
Identification of novel allosteric nonpeptidergic inhibitors of the human cytomegalovirus-encoded chemokine receptor US28
Henry F. Vischer, Janneke W. Hulshof, Saskia Hulscher, Silvina A. Fratantoni, Mark H.P. Verheij, Jane Victorina, Martine J. Smit, Iwan J.P. de Esch, Rob Leurs
Structure      13C NMR   碳谱模拟图
17 .     2-cyano-1-[3-(1H-imidazol-4-yl)phenyl]-3-[2-(phenylthio)ethyl]guanidine
C19H18N6S     相似度:53.3%
Archiv der Pharmazie          2011          344          775-785
Synthesis and Histamine H3 and H4 Receptor Activity of Conformationally Restricted Cyanoguanidines Related to UR-PI376 (pages 775–785)
Roland Geyer and Armin Buschauer
Structure      13C NMR   碳谱模拟图
18 .     6,6',1',1'',12,12'-hexachloroisoperrottetin A
C28H20O4Cl6     相似度:50%
Phytochemistry          2003                   227-233
Secondary metabolites from the liverwort Jamesoniella colorata
Ursula Maria Hertewich, Josef Zapp, Hans Becker
Structure      13C NMR   碳谱模拟图
19 .     thunalbene
    相似度:50%
Journal of Natural Products          2007          70          968-973
Stilbenes from the Orchid Phragmipedium sp.
Eliane Garo,Jin-Feng Hu, Matt Goering, Grayson Hough, Mark O’Neil-Johnson, and Gary Eldridge
Structure      13C NMR   碳谱模拟图
20 .     5,6-dehydro-4"-de-O-methylcentrolobin
C19H20O3     相似度:50%
Planta Medica          1999          65          196
New Diaryiheptanoid from the Seeds of Alpinia blepharocalyx
Jeevan Kumar Prasain, Yasuhiro Tezuka, jian-Xin Li,Ken Tanaka, Purusotam Basnet, Hul Dong,Tsuneo Namba, and Shigetoshi Kadota
Structure      13C NMR   碳谱模拟图
21 .     3-(4-hydroxy-2-methoxyphenyl)-propanoic acid
C10H12O4     相似度:50%
Molecules          2002          7          315-319
Synthesis of 6-Methoxy-1-oxaspiro[4, 5]deca-6, 9-diene-8-one
Guy L. Plourde and Benjamin B. Fisher
Structure      13C NMR   碳谱模拟图
22 .     demethyl batatasin Ⅳ
    相似度:50%
China Journal of Chinese Materia Medica          2009          34          1679-1682
Chemical constituents fromtubers of Dioscorea bulbifera
WANG Gang, LIN Binbin, LIU Jinsong, WANG Guokai, WANG Fei, LIU Jikai
Structure      13C NMR   碳谱模拟图
23 .     5,7-dihydroxy-8-methoxyflavone
    相似度:50%
China Journal of Chinese Materia Medica          2003          28          530-533
Studies on Flavonoids of Anaphalis sinica
HUA Yan, HE Li, WANG Hanqing
Structure      13C NMR   碳谱模拟图
24 .     7-hydroxy-3-(4-methoxybenzyl)-chroman
C17H18O3     相似度:50%
Fitoterapia          2005          76          594-597
Constituents of Agave americana and Agave barbadensis
W.F. Tinto, J.L. Simmons-Boyce , S. McLean , W.F. Reynolds
Structure      13C NMR   碳谱模拟图

化合物2:

1 .     4,4'-Dihydroxy-2'-methoxy-chalcone
    相似度:78.5%
Journal of the Brazilian Chemical Society          2005          16          1402-1405
Biflavonoids and other Phenolics from Caesalpinia pyramidalis (Fabaceae)
Marcus V. Bahia, Jamile B. dos Santos, Juceni P. David and Jorge M. David
Structure      13C NMR   碳谱模拟图
2 .     compound 23
C17H16O6     相似度:64.2%
Phytochemistry          1987          26          3323-3330
Three dihydroisocoumarin glucosides from Hydrangea macrophylla subsp. serrata
Toshihiro Hashimoto,Motoo Tori,Yoshinori Asakawa
Structure      13C NMR   碳谱模拟图
3 .     2',4'-Dihydroxy-4-methoxychalchone
    相似度:64.2%
Journal of Agricultural and Food Chemistry          2010          58          2902-2907
Polyphenols, Including the New Peapolyphenols A−C, from Pea Root Exudates Stimulate Orobanche foetida Seed Germination
Antonio Evidente, Alessio Cimmino, Monica Fernández-Aparicio, Anna Andolfi, Diego Rubiales and Andrea Motta
Structure      13C NMR   碳谱模拟图
4 .     aurentiacin A
    相似度:58.8%
Planta Medica          1996          62          67-69
Antifungal and Antibacterial Chalcones from Myrica serrata
Stefan Gafner, Jean-Luc Wolfender, Stephen Mavi. and Kurt Host ettmann
Structure      13C NMR   碳谱模拟图
5 .     klaivanolide
C16H14O6     相似度:57.1%
Phytochemistry          2002          59          885-888
Klaivanolide, an antiprotozoal lactone from Uvaria klaineana
Blandine Akendengue, Franc¸ ois Roblot, Philippe M. Loiseau, Christian Bories,Edouard Ngou-Milama, Alain Laurens, Reynald Hocquemiller
Structure      13C NMR   碳谱模拟图
6 .     Cardamonin
C16H14O4     相似度:57.1%
Natural Product Sciences          2007          13          110-113
Cytotoxic Constituents from Boesenbergia pandurate (Roxb.) Schltr
Ching, Amy Yap Li; Lian, Gwendoline Ee Cheng; Rahmani, Mawardi; Khalid, Kaida; Sukari, Mohd Aspollah
Structure      13C NMR   碳谱模拟图
7 .     Benzyl 3-(2-bromoacetamido) benzoate
C16H14BrNO3     相似度:57.1%
Tetrahedron          2012          68          1790-1801
Synthesis of benzoic acids and polybenzamides containing tertiary alkylamino functionality
Gul Shahzada Khan, Benjamin D. Dickson, David Barker
Structure      13C NMR   碳谱模拟图
8 .     N-(trans-Cinnamoyl)-L-tyrosine
C18H17NO4     相似度:57.1%
Tetrahedron          2004          60          11619-11628
Isolation and total synthesis of gymnastatin N, a POLO-like kinase 1 active constituent from the fungus Arachniotus punctatus
Chee Wee Phoon, Brinda Somanadhan, Sabrina Cher Hui Heng, Anna Ngo, Siew Bee Ng, Mark S. Butler, Antony D. Buss, Mui Mui Sim
Structure      13C NMR   碳谱模拟图
9 .     N-(trans-cinnamoyl)-L-tyrosine
C18H17NO4     相似度:57.1%
Tetrahedron          2004          60          11619-11628
Isolation and total synthesis of gymnastatin N, a POLO-like kinase 1 active constituent from the fungus Arachniotus punctatus
Chee Wee Phoon, Brinda Somanadhan, Sabrina Cher Hui Heng, Anna Ngo, Siew Bee Ng, Mark S. Butler, Antony D. Buss, Mui Mui Sim
Structure      13C NMR   碳谱模拟图
10 .     compound P3C
C15H15NO     相似度:57.1%
European Journal of Organic Chemistry          2010                   3858-3866
The Advantage of Covalent Capture in the Combinatorial Screening of a Dynamic Library for the Detection of Weak Interactions
Marco Martin, Giulio Gasparini, Matteo Graziani, Leonard J. Prins and Paolo Scrimin
Structure      13C NMR   碳谱模拟图
11 .     N-(tert-butyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine
C16H18N4     相似度:57.1%
Bioorganic & Medicinal Chemistry          2012          20          5850-5863
Antibacterial activities of Groebke–Blackburn–Bienaymé-derived imidazo[1,2-a]pyridin-3-amines
Nikunj M. Shukla, Deepak B. Salunke, Euna Yoo, Cole A. Mutz, Rajalakshmi Balakrishna, Sunil A. David
Structure      13C NMR   碳谱模拟图
12 .     sappanchalcon
    相似度:56.2%
Archives of Pharmacal Research          2000          23          344-348
Anticonvulsant compounds from the wood of Caesalpinia sappan L.
Nam-In Baek, Seong Gyu Jeon, Eun-Mi Ahn, Jae-Taek Hahn and Jae Hoon Bahn, et al.
Structure      13C NMR   碳谱模拟图
13 .     Toussaintine A
C17H15NO4     相似度:53.3%
Phytochemistry          2011          72          1826-1832
Toussaintines A–E: Antimicrobial indolidinoids, a cinnamoylhydrobenzofuranoid and a cinnamoylcyclohexenoid from Toussaintia orientalis leaves
Stephen Samwel, Josiah O. Odalo, Mayunga H.H. Nkunya, Cosam C. Joseph, Neil A. Koorbanally
Structure      13C NMR   碳谱模拟图
14 .     4'-(4-methoxybenzenesulfonamido)-4-hydroxychalcone
C22H19NO5S     相似度:53.3%
Molecules          2013          18          140-153
Inhibitory Evaluation of Sulfonamide Chalcones on β-Secretase and Acylcholinesterase
Jae Eun Kang, Jung Keun Cho, Marcus J. Curtis-Long, Hyung Won Ryu, Jin Hyo Kim, Hye Jin Kim, Heung Joo Yuk, Dae Wook Kim and Ki Hun Park
Structure      13C NMR   碳谱模拟图
15 .     2',4'-dihydroxy-3',6'-dimethoxychalcone
    相似度:52.9%
Natural Product Sciences          2004          10          207-210
Constituents of Lindera Erythrocarpa Stem Bark
Lee, Hak-Ju; Park, Young-Ki; Park, Il-Kwon; Shin, Sang-Chul
Structure      13C NMR   碳谱模拟图
16 .     (E)-2-[2-(3-Hydroxy-4-methoxyphenyl)ethenyl]quinazoline
    相似度:52.9%
Archiv der Pharmazie          2002          335          277-282
Styrylquinazoline Derivatives as HIV-1 Integrase Inhibitors
Jae Yeol Lee, Jang Hyun Park, Sook Ja Lee, Hokoon Park and Yong Sup Lee
Structure      13C NMR   碳谱模拟图
17 .     11-formylquindoline
C16H10N2O     相似度:50%
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
18 .     5-methoxyflavone
    相似度:50%
Chemistry of Natural Compounds          1977          13          429-434
13C NMR SPECTRA OF 3- AND 5-SUBSTITUTED FLAVONE DERIVATIVES
G. A. Kaiabin, N. N. Pogodaeva,N. A. Tyukavklna, and D. F. Kushnarev
Structure      13C NMR   碳谱模拟图
19 .     compound 11e
    相似度:50%
Bioorganic & Medicinal Chemistry Letters          2011          21          2476-2479
Discovery of non-peptide, small molecule antagonists of a9a10 nicotinic acetylcholine receptors as novel analgesics for the treatment of neuropathic and tonic inflammatory pain
Guangrong Zheng, Zhenfa Zhang, Cheryl Dowell, Elzbieta Wala, Linda P. Dwoskin,Joseph R. Holtman, J. Michael McIntosh, Peter A. Crooks
Structure      13C NMR   碳谱模拟图
20 .     Compound 3
C42H18Cl4N6O4     相似度:50%
Chemistry – An Asian Journal          2011          6          3110-3121
Supramolecular Zinc Phthalocyanine–Imidazolyl Perylenediimide Dyad and Triad: Synthesis, Complexation, and Photophysical Studies
F. Javier C spedes-Guirao, Kei Ohkubo, Shunichi Fukuzumi,Fernando Fern ndez-L zaro,and ngela Sastre-Santos
Structure      13C NMR   碳谱模拟图
21 .     4-(3,4-dichlorophenylamino)-2-methylthio-6-phenylpyrimidine
C17H13Cl2N3S     相似度:50%
Journal of Heterocyclic Chemistry          2010          47          1056-1061
Facile synthesis of 2,4-diamino-6-alkyl- or 6-aryl-pyrimidine derivatives
Xihong Wang, Ramadas Sathunuru, Victor Melendez, Michael P. Kozar and Ai J. Lin
Structure      13C NMR   碳谱模拟图
22 .     4-anthracen-9-yl-4-oxobut-2-enoic acid
C18H12O3     相似度:50%
Heterocycles          2006          68          1121-1138
Facile Synthesis of 2-Arylpyrroles from 4-Oxo-butanoic Acids and Their Use in the Preparation of Bis(pyrrolyl)methanes
David J. Jones and Vernon C. Gibson*
Structure      13C NMR   碳谱模拟图
23 .     hetranthin A
C16H14O5     相似度:50%
Heterocycles          2004          63          359-366
Lipoxygenase Inhibiting Flavonoids from Indigofera hetrantha
Aziz-ur-Rehman, Abdul Malki,* Naheed Riaz, Habib Ahmad, Sarfraz Ahmad Nawaz, and Muhammad Iqubal Choudhary
Structure      13C NMR   碳谱模拟图
24 .     compound 5
CI5H14N204F6S     相似度:50%
Heterocycles          2004          63          2033-2041
Cosmin Patrascu, Claudia Sugisaki, Christophe Mingotaud, Jean-Daniel Marty, Yves Génisson, and Nancy Lauth - de Viguerie*
Cosmin Patrascu, Claudia Sugisaki, Christophe Mingotaud, Jean-Daniel Marty, Yves Génisson, and Nancy Lauth - de Viguerie*
Structure      13C NMR   碳谱模拟图
25 .     (S,E)-1-(1-(4-chlorophenyl)-3-methoxy-4,4-dimethylpent-1-en-2-yl)-1H-imidazole
C16H18ClFN2     相似度:50%
Bioorganic & Medicinal Chemistry          2008          16          3141-3152
Structure–activity relationship of uniconazole, a potent inhibitor of ABA 8'-hydroxylase, with a focus on hydrophilic functional groups and conformation
Yasushi Todoroki, Kyotaro Kobayashi, Hidetaka Yoneyama, Saori Hiramatsu, Mei-Hong Jin, Bunta Watanabe, Masaharu Mizutani, Nobuhiro Hirai
Structure      13C NMR   碳谱模拟图
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