CFam Chemical Families Database
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You are searching for "CFAMM00229711" in compound.

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CFAM Mol ID CFAMM00229711
Family CFFID1158 cAMP-dependent protein kinase type II-beta regulatory subunit and Protein kinase C eta type Inhibitor Balanol Family
Superfamily CFSID936 cAMP-dependent protein kinase type II-beta regulatory subunit and Protein kinase C eta type Inhibitor Balanol Superfamily
Class CFCID651 Class 2001
External ID CHEMBL431568 External Source CHEMBL
PubChem CID 5328013 Functional Category Bioactive
Molecule Name Balanol Benzophenone Ester Analog 9
IUPAC Name [(1R,2R)-2-[(4-hydroxybenzoyl)amino]cyclopentyl] 3,5-dihydroxy-4-(2-hydroxy-6-propan-2-yloxycarbonylbenzoyl)benzoate
Synonyms AC1NS3KN;[(1R,2R)-2-[(4-hydroxybenzoyl)amino]cyclopentyl] 3,5-dihydroxy-4-(2-hydroxy-6-propan-2-yloxycarbonylbenzoyl)benzoate
InChi InChI=1S/C30H29NO10/c1-15(2)40-30(39)19-5-3-7-21(33)25(19)27(36)26-22(34)13-17(14-23(26)35)29(38)41-24-8-4-6-20(24)31-28(37)16-9-11-18(32)12-10-16/h3,5,7,9-15,20,24,32-35H,4,6,8H2,1-2H3,(H,31,37)/t20-,24-/m1/s1
InChiKey XDTAJQIDTGQFQG-HYBUGGRVSA-N
Formula C30H29NO10 Molecular Weight 563.55
Cross Link CHEMBL431568
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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