CFam Chemical Families Database
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You are searching for "CFAMM00008249" in compound.

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CFAM Mol ID CFAMM00008249
Family CFFAD48 DNA binder anthracycline analog Doxorubicin family
Superfamily CFSAD47 Binder Superfamily
Class CFCAD47 Class 47
External ID CHEMBL328045 External Source CHEMBL
PubChem CID 44326172 Functional Category Bioactive
Molecule Name (2S,3S,4R)-2,5,7-trihydroxy-3-methoxy-2-methyl-4-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-3,4-dihydrotetracene-1,6,11-trione
IUPAC Name (2S,3S,4R)-2,5,7-trihydroxy-3-methoxy-2-methyl-4-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-3,4-dihydrotetracene-1,6,11-trione
Synonyms CHEBI:251925
InChi InChI=1S/C29H32O12/c1-11-22(36-3)24(37-4)25(38-5)28(40-11)41-23-18-14(26(34)29(2,35)27(23)39-6)10-13-17(21(18)33)20(32)16-12(19(13)31)8-7-9-15(16)30/h7-11,22-25,27-28,30,33,35H,1-6H3/t11?,22?,23-,24?,25?,27+,28?,29-/m1/s1
InChiKey DUUHMNHPMFRVFH-PTOPELDVSA-N
Formula C29H32O12 Molecular Weight 572.56
Cross Link CHEMBL328045
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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