CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00486874" 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.

Search Results

CFAM Mol ID CFAMM00486874
Family CFFBM28819 Aldo-keto reductase family 1 member C3 inhibitor methyl (8R,9S,13S,14S,17R)-3-hydroxy-13-methyl-2'-oxospiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,6'-oxane]-3'-carboxylate family
Superfamily CFSBM6407 Aldo-keto reductase family 1 member C3 and Steryl-sulfatase Binder Superfamily
Class CFCID723 Class 2073
External ID CHEMBL478282 External Source CHEMBL
PubChem CID 11350052 Functional Category Bioactive
Molecule Name methyl (8R,9S,13S,14S,17R)-3-hydroxy-13-methyl-2'-oxospiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,6'-oxane]-3'-carboxylate
IUPAC Name methyl (8R,9S,13S,14S,17R)-3-hydroxy-13-methyl-2'-oxospiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,6'-oxane]-3'-carboxylate
Synonyms CHEBI:598720
InChi InChI=1S/C24H30O5/c1-23-10-7-17-16-6-4-15(25)13-14(16)3-5-18(17)20(23)9-12-24(23)11-8-19(21(26)28-2)22(27)29-24/h4,6,13,17-20,25H,3,5,7-12H2,1-2H3/t17-,18-,19?,20+,23+,24+/m1/s1
InChiKey LTDZSQRPECWURW-AEABNMGWSA-N
Formula C24H30O5 Molecular Weight 398.49
Cross Link CHEMBL478282
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
 

 

68329 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00486874'),None, txtsearch, CFAMM00486874|