CFam Chemical Families Database
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You are searching for "CFAMM00298592" in compound.

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CFAM Mol ID CFAMM00298592
Family CFFID3861 D(2) dopamine receptor Ligand (s)-secoantioquine Family
Superfamily CFSCD637 Heat shock protein 90, putative Inhibitor KW-2478 Superfamily
Class CFCAD727 Class 727
External ID ZINC08917855 External Source ZINC
PubChem CID 16399699 Functional Category Natural Product
Molecule Name ((1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)(3,4,5-triethoxyphenyl)methanone
IUPAC Name [(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone
Synonyms MolPort-002-521-348;ZINC08917855;MCULE-4051039673
InChi InChI=1S/C29H39NO6/c1-5-34-24-18-20(19-25(35-6-2)27(24)36-7-3)28(31)30-17-16-29(32)15-11-10-13-22(29)26(30)21-12-8-9-14-23(21)33-4/h8-9,12,14,18-19,22,26,32H,5-7,10-11,13,15-17H2,1-4H3/t22-,26-,29-/m0/s1
InChiKey UPMJQMWLDRYCIQ-ONALNCHISA-N
Formula C29H39NO6 Molecular Weight 497.62
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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