CFam Chemical Families Database
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You are searching for "CFAMM00164251" in compound.

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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 CFAMM00164251
Family CFFCD543 Multidrug resistance protein Inhibitor Curcumin I Family
Superfamily CFSAD739 Aldehyde oxidase Inhibitor Isovanillin Superfamily
Class CFCAD663 Class 663
External ID CHEMBL437222 External Source CHEMBL
PubChem CID 44450697 Functional Category Bioactive
Molecule Name acetic acid;5-(methoxymethyl)-4-[2,3,4-trihydroxy-6-(methoxymethyl)phenyl]benzene-1,2,3-triol
IUPAC Name acetic acid;5-(methoxymethyl)-4-[2,3,4-trihydroxy-6-(methoxymethyl)phenyl]benzene-1,2,3-triol
Synonyms AGN-PC-076CN5;acetic acid;5-(methoxymethyl)-4-[2,3,4-trihydroxy-6-(methoxymethyl)phenyl]benzene-1,2,3-triol
InChi InChI=1S/C16H18O8.C2H4O2/c1-23-5-7-3-9(17)13(19)15(21)11(7)12-8(6-24-2)4-10(18)14(20)16(12)22;1-2(3)4/h3-4,17-22H,5-6H2,1-2H3;1H3,(H,3,4)
InChiKey SCYZQBPDGMCDMY-UHFFFAOYSA-N
Formula C16H18O8.C2H4O2 Molecular Weight 398.36
Cross Link CHEMBL437222
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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