CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00072660" 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.

Search Results

CFAM Mol ID CFAMM00072660
Family CFFAD531 Prostaglandin G/H synthase 1 Inhibitor Salicyclic Acid Family
Superfamily CFSAD123 Prostaglandin G/H synthase inhibitor salicylates and derivatives Superfamily
Class CFCAD121 Class 121
External ID HMDB40225 External Source HMDB
PubChem CID 6874 Functional Category Human Metabolite
Molecule Name Isoamyl salicylate
IUPAC Name 3-methylbutyl 2-hydroxybenzoate
Synonyms 2-Hydroxybenzoic acid, 3-methylbutyl ester;3-Methylbutyl 2-hydroxybenzoate;3-Methylbutyl O-hydroxybenzoate;3-Methylbutyl salicylate;Benzoic acid, 2-hydroxy-, 3-methylbutyl ester;Benzoic acid, O-hydroxy, 3-methylbutyl ester;Isoamyl O-hydroxybenzoate;Isoamyl salicylate;Isopentyl O-hydroxybenzoate;Isopentyl salicylate;Isopentyl-2-hydroxyphenyl methanoate;Orchidee;Salicylic acid, isopentyl ester;Sanfoin;Trefle;Trefol;Tressane
InChi InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
InChiKey PMGCQNGBLMMXEW-UHFFFAOYSA-N
Formula C12H16O3 Molecular Weight 208.25
Cross Link CHEMBL2260718
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
 

 

27526 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00072660'),None, txtsearch, CFAMM00072660|