CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00078404" in compound.

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CFAM Mol ID CFAMM00078404
Family CFFAD590 Estrogen receptor beta Ligand Conjugated Estrogens Family
Superfamily CFSAD504 Estrogen receptor beta Ligand Conjugated Estrogens Superfamily
Class CFCAD463 Class 463
External ID DNC006187 External Source TTD
PubChem CID 44407481 Functional Category Investigative Drug
Molecule Name 16-isobutylidene-estrone
IUPAC Name (13S,16E)-3-hydroxy-13-methyl-16-(2-methylpropylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Synonyms SureCN12379626;DNC006187
InChi InChI=1S/C22H28O2/c1-13(2)10-15-12-20-19-6-4-14-11-16(23)5-7-17(14)18(19)8-9-22(20,3)21(15)24/h5,7,10-11,13,18-20,23H,4,6,8-9,12H2,1-3H3/b15-10+/t18?,19?,20?,22-/m0/s1
Formula C22H28O2 Molecular Weight 324.46
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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).

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National University of Singapore, Singapore

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