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

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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
Formula C12H16O3 Molecular Weight 208.25
Cross Link CHEMBL2260718

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).

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