CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00072687" in compound.

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CFAM Mol ID CFAMM00072687
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 HMDB36432 External Source HMDB
PubChem CID 6873 Functional Category Human Metabolite
Molecule Name Isobutyl salicylate
IUPAC Name 2-methylpropyl 2-hydroxybenzoate
Synonyms 2-Isobutoxycarbonylphenol;2-Methyl-1-propyl salicylate;2-Methylpropyl 2-hydroxybenzoate;2-Methylpropyl O-hydroxybenzoate;2-Methylpropyl salicylate;Benzoic acid, 2-hydroxy-, 2-methylpropyl ester;FEMA 2213;Isobutyl O-hydroxybenzoate;Isobutyl salicylate;Orchindone;Salicylic acid, isobutyl ester
InChi InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
Formula C11H14O3 Molecular Weight 194.23
Cross Link CHEMBL2260712

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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