CFam Chemical Families Database
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You are searching for "CFAMM00110087" in compound.

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CFAM Mol ID CFAMM00110087
Family CFFAD880 Aldehyde oxidase Inhibitor Isovanillin Family
Superfamily CFSAD739 Aldehyde oxidase Inhibitor Isovanillin Superfamily
Class CFCAD663 Class 663
External ID ZINC01665979 External Source ZINC
PubChem CID 14128 Functional Category Natural Product
Molecule Name BUTYL GALLATE
IUPAC Name butyl 3,4,5-trihydroxybenzoate
Synonyms Progallin butyl;Butyl 3,4,5-trihydroxybenzoate;1083-41-6;n-Butyl gallate;Gallic acid, butyl ester;Benzoic acid, 3,4,5-trihydroxy-, butyl ester;Butylester kyseliny gallove [Czech];NSC33956;EINECS 214-107-7;NSC 33956
InChi InChI=1S/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3
InChiKey XOPOEBVTQYAOSV-UHFFFAOYSA-N
Formula C11H14O5 Molecular Weight 226.23
Cross Link CHEMBL494005
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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