CFam Chemical Families Database
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You are searching for "CFAMM00318746" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00318746
Family CFFBM1050 Estrogen receptor and Estrogen receptor beta ligand SureCN1784453 family
Superfamily CFSBM597 Estrogen receptor and Estrogen receptor beta ligand SureCN1784453 Superfamily
Class CFCBM228 Class 3278
External ID CHEMBL1096975 External Source CHEMBL
PubChem CID 46237712 Functional Category Bioactive
Molecule Name SureCN1782373
IUPAC Name diethyl 5-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-1,3-dihydroindene-2,2-dicarboxylate
Synonyms CHEBI:726105
InChi InChI=1S/C33H40O6/c1-4-38-29(35)32(30(36)39-5-2)18-21-6-8-23(16-22(21)19-32)33(37)15-13-28-27-10-7-20-17-24(34)9-11-25(20)26(27)12-14-31(28,33)3/h6,8-9,11,16-17,26-28,34,37H,4-5,7,10,12-15,18-19H2,1-3H3/t26-,27-,28+,31+,33-/m1/s1
InChiKey SLOGBMJEHQPRAF-OLGNUNBWSA-N
Formula C33H40O6 Molecular Weight 532.67
Cross Link CHEMBL1096975
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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