CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00536051" 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.

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CFAM Mol ID CFAMM00536051
Family CFFHM631 Prenol Lipids Metabolite alpha-Irone Family
Superfamily CFSHM364 Prenol Lipids Metabolite alpha-Irone Superfamily
Class CFCHM227 Class 7312
External ID 57265109 External Source PubChem
PubChem CID 57265109 Functional Category Patent Compound
Molecule Name AGN-PC-0BQMEA
IUPAC Name 3-methyl-4-(1,3,3-trimethylcyclohexyl)but-3-en-2-one
Synonyms SureCN1545634;3-methyl-4-(1,3,3-trimethylcyclohexyl)but-3-en-2-one
InChi InChI=1S/C14H24O/c1-11(12(2)15)9-14(5)8-6-7-13(3,4)10-14/h9H,6-8,10H2,1-5H3
InChiKey IPDLQJKVJAEGLS-UHFFFAOYSA-N
Formula C14H24O Molecular Weight 208.34
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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