CFam Chemical Families Database
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You are searching for "CFAMM00067077" in compound.

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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 CFAMM00067077
Family CFFAD456 Cyclooxygenase Inhibitor Flurbiprofen Family
Superfamily CFSAD395 Cyclooxygenase Inhibitor Flurbiprofen Superfamily
Class CFCAD368 Class 368
External ID HMDB40425 External Source HMDB
PubChem CID 221641 Functional Category Human Metabolite
Molecule Name Propyl phenylacetate
IUPAC Name propyl 2-phenylacetate
Synonyms Acetic acid, phenyl-, propyl ester;Acetic acid, phenyl-, propyl ester (8CI);Benzeneacetic acid, propyl ester;FEMA 2955;N-Propyl phenylacetate;N-Propyl-alpha-toluate;Phenylacetic acid propyl ester;Propyl alpha-toluate;Propyl benzeneacetate;Propyl phenylacetate
InChi InChI=1S/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChiKey GXXFZZLGPFNITM-UHFFFAOYSA-N
Formula C11H14O2 Molecular Weight 178.23
Cross Link
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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