CFam Chemical Families Database
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You are searching for "CFAMM00249010" in compound.

Total 1 results found.

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 CFAMM00249010
Family CFFID1742 Oestrogen receptor and Estrogen receptor beta Ligand 6-(4-hydroxy-phenyl)-naphthalen-2-ol Family
Superfamily CFSID1340 Tyrosinase and Oestrogen receptor Binder Superfamily
Class CFCID881 Class 2231
External ID 21743929 External Source PubChem
PubChem CID 21743929 Functional Category Patent Compound
Molecule Name AGN-PC-03EQJ1
IUPAC Name 2-(2-methylbutan-2-yl)-6-propan-2-yl-4-[[2,4,6-tributyl-3,5-bis[[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]methyl]phenyl]methyl]phenol
Synonyms 2-(2-methylbutan-2-yl)-6-propan-2-yl-4-[[2,4,6-tributyl-3,5-bis[[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]methyl]phenyl]methyl]phenol
InChi InChI=1S/C63H96O3/c1-19-25-28-46-52(34-43-31-49(40(7)8)58(64)55(37-43)61(13,14)22-4)47(29-26-20-2)54(36-45-33-51(42(11)12)60(66)57(39-45)63(17,18)24-6)48(30-27-21-3)53(46)35-44-32-50(41(9)10)59(65)56(38-44)62(15,16)23-5/h31-33,37-42,64-66H,19-30,34-36H2,1-18H3
InChiKey CKZCWYIJZBKUDK-UHFFFAOYSA-N
Formula C63H96O3 Molecular Weight 901.43
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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