CFam Chemical Families Database
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You are searching for "CFAMM00110065" in compound.

Total 1 results found.

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 CFAMM00110065
Family CFFAD880 Aldehyde oxidase Inhibitor Isovanillin Family
Superfamily CFSAD739 Aldehyde oxidase Inhibitor Isovanillin Superfamily
Class CFCAD663 Class 663
External ID CHEMBL25948 External Source CHEMBL
PubChem CID 5281794 Functional Category Bioactive
Molecule Name Shogaol
IUPAC Name (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
Synonyms 6-Shogaol;(6)-Shogaol;555-66-8;[6]-Shogaol;CCRIS 2038;(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one;4-DECEN-3-ONE, 1-(4-HYDROXY-3-METHOXYPHENYL)-;Trans-6-Shogaol;AC1NQZ3K;UNII-83DNB5FIRF
InChi InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
InChiKey OQWKEEOHDMUXEO-BQYQJAHWSA-N
Formula C17H24O3 Molecular Weight 276.37
Cross Link CHEMBL25948
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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