CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00539424" 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 CFAMM00539424
Family CFFHM1146 Carbonyl Compounds Metabolite 2-(trans-2-Pentenyl)cyclopentanone Family
Superfamily CFSHM666 Carbonyl Compounds Metabolite 2-(trans-2-Pentenyl)cyclopentanone and Prenol Lipids Metabolite Curdione Superfamily
Class CFCHM247 Class 7332
External ID ZINC02106663 External Source ZINC
PubChem CID 1761700 Functional Category Natural Product
Molecule Name 4-(2-methyl-5-(prop-1-en-2-yl)cyclopent-1-en-1-yl)butan-2-one
IUPAC Name 4-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]butan-2-one
Synonyms AC1LWZM5;4-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]butan-2-one
InChi InChI=1S/C13H20O/c1-9(2)12-7-5-10(3)13(12)8-6-11(4)14/h12H,1,5-8H2,2-4H3/t12-/m0/s1
InChiKey DMGPXLFAXQJGKK-LBPRGKRZSA-N
Formula C13H20O Molecular Weight 192.30
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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