CFam Chemical Families Database
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You are searching for "CFAMM00248204" in compound.

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CFAM Mol ID CFAMM00248204
Family CFFID1718 Liver carboxylesterase 1 Inhibitor 3,5-di-tert-butyl-[1,2]benzoquinone Family
Superfamily CFSID1323 Liver carboxylesterase 1 Inhibitor 3,5-di-tert-butyl-[1,2]benzoquinone Superfamily
Class CFCAD768 Class 768
External ID DNC005436 External Source TTD
PubChem CID 76915 Functional Category Investigative Drug
Molecule Name 3,5-Di-tert-butyl-[1,2]benzoquinone
IUPAC Name 3,5-ditert-butylcyclohexa-3,5-diene-1,2-dione
Synonyms 3,5-Di-tert-butyl-o-benzoquinone;3,5-di(tert-butyl)benzo-1,2-quinone;3,5-Di-tert-butyl-1,2-benzoquinone;3,5-di-tert-butylbenzo-1,2-quinone;3,5-Ditert-butylbenzo-1,2-quinone;o-Benzoquinone, 3,5-di-tert-butyl-;3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1,1-dimethylethyl)-;AH-188/25003063;3,5-bis(tert-butyl)cyclohexa-3,5-diene-1,2-dione;Benzil-related compound, 54
InChi InChI=1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3
InChiKey NOUZOVBGCDDMSX-UHFFFAOYSA-N
Formula C14H20O2 Molecular Weight 220.31
Cross Link CHEMBL365161
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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