CFam Chemical Families Database
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You are searching for "CFAMM00109451" in compound.

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CFAM Mol ID CFAMM00109451
Family CFFAD880 Aldehyde oxidase Inhibitor Isovanillin Family
Superfamily CFSAD739 Aldehyde oxidase Inhibitor Isovanillin Superfamily
Class CFCAD663 Class 663
External ID ZINC00165469 External Source ZINC
PubChem CID 2797678 Functional Category Natural Product
Molecule Name methyl 3-(3,4,5-trimethoxyphenyl)propanoate
IUPAC Name methyl 3-(3,4,5-trimethoxyphenyl)propanoate
Synonyms Propanoic acid, 3-(3,4,5-trimethoxyphenyl), methyl ester;53560-25-1;ZINC00165469;AC1MDYE0;SureCN7431362;CHEMBL2252075;CTK6J2211;AG-B-27196;OR29242;KB-255968
InChi InChI=1S/C13H18O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h7-8H,5-6H2,1-4H3
InChiKey KCQHYTFTCZDNMC-UHFFFAOYSA-N
Formula C13H18O5 Molecular Weight 254.28
Cross Link CHEMBL2252075
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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