CFam Chemical Families Database
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You are searching for "CFAMM00444400" in compound.

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CFAM Mol ID CFAMM00444400
Family CFFBM17796 Free fatty acid receptor 1 ligand (3R,4R)-3-[4-(3,4-dimethylphenoxy)phenyl]-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid family
Superfamily CFSBM7152 Integrin beta-3 and Integrin alpha-IIb Binder Superfamily 21
Class CFCAD216 Class 216
External ID ZINC04064552 External Source ZINC
PubChem CID 7088277 Functional Category Natural Product
Molecule Name ((1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone
IUPAC Name [(1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone
Synonyms STOCK1N-46444;MolPort-002-522-044;ZINC04064552;MCULE-9196762384;[(1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone
InChi InChI=1S/C24H29NO4/c1-28-18-12-10-17(11-13-18)22-20-8-5-6-14-24(20,27)15-16-25(22)23(26)19-7-3-4-9-21(19)29-2/h3-4,7,9-13,20,22,27H,5-6,8,14-16H2,1-2H3/t20-,22-,24-/m0/s1
InChiKey DQOKXAPRQQEBJF-SSPYTLHUSA-N
Formula C24H29NO4 Molecular Weight 395.49
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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