CFam Chemical Families Database
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You are searching for "CFAMM00248208" in compound.

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CFAM Mol ID CFAMM00248208
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 HMDB36572 External Source HMDB
PubChem CID 5366074 Functional Category Human Metabolite
Molecule Name 3,5,8-Megastigmatrien-7-one
IUPAC Name (2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
Synonyms (e)-beta -damascenone;1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-Buten-1-one;1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one;2,6,6-Trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene;4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-one;b-Damascenone;beta -(e)-damascenone;beta -damascenone;beta-Damascenone;Damascenone;Trans-beta -damascenone;trans-Damascenone
InChi InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
InChiKey POIARNZEYGURDG-FNORWQNLSA-N
Formula C13H18O Molecular Weight 190.28
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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National University of Singapore, Singapore


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