CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00248219" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00248219
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 HMDB40216 External Source HMDB
PubChem CID 62374 Functional Category Human Metabolite
Molecule Name 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
IUPAC Name 2,6,6-trimethylcyclohex-2-ene-1,4-dione
Synonyms 2,2,6-Trimethyl-2-cyclohexene-1,4-dione (cetoisophorone);2,2,6-Trimethylcyclohex-2-en-1,4-dione (4-oxo-isophorone);2,6,6-Trimethy-2-cyclohexene-1,4-dione (4-oxoisophorone);2,6,6-Trimethyl-2-cyclohexen-1,4-dione;2,6,6-Trimethyl-2-Cyclohexene-1,4-dione;2,6,6-Trimethylcyclohex-2-ene-1,4-dione;2-Cyclohexen-1,4-dione, 2,6,6-trimethyl;3,5,5-Trimethyl-2-cyclohexene-1,4-dione;3,5,5-Trimethylcyclohex-2-en-1,4-dione;3,5,5-Trimethylcyclohex-2-ene-1,4-dione;4-Ketoisophorone;4-Oxo-alpha-isophorone;4-Oxoisophorone;6-Oxoisophorone;FEMA 3421;Keto-isophorone;Ketoisophorone;Oxoisophorone;Oxopholone;Oxophorone
InChi InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
InChiKey AYJXHIDNNLJQDT-UHFFFAOYSA-N
Formula C9H12O2 Molecular Weight 152.19
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
 

 

44792 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00248219'),None, txtsearch, CFAMM00248219|