CFam Chemical Families Database
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You are searching for "CFAMM00318748" in compound.

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CFAM Mol ID CFAMM00318748
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 CHEMBL2326069 External Source CHEMBL
PubChem CID 71605542 Functional Category Bioactive
Molecule Name diethyl 2-[[4-[6-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hex-1-ynyl]phenyl]methyl]propanedioate
IUPAC Name diethyl 2-[[4-[6-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hex-1-ynyl]phenyl]methyl]propanedioate
Synonyms
InChi InChI=1S/C38H48O6/c1-4-43-36(41)32(37(42)44-5-2)22-26-14-12-25(13-15-26)10-8-6-7-9-11-27-23-28-24-29(39)16-17-30(28)31-20-21-38(3)33(35(27)31)18-19-34(38)40/h12-17,24,27,31-35,39-40H,4-7,9,11,18-23H2,1-3H3/t27-,31-,33+,34+,35-,38+/m1/s1
InChiKey BMIUOILMANDNSR-LMQSXIAWSA-N
Formula C38H48O6 Molecular Weight 600.78
Cross Link CHEMBL2326069
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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