CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00536052" 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 CFAMM00536052
Family CFFHM631 Prenol Lipids Metabolite alpha-Irone Family
Superfamily CFSHM364 Prenol Lipids Metabolite alpha-Irone Superfamily
Class CFCHM227 Class 7312
External ID ZINC18189423 External Source ZINC
PubChem CID 638013 Functional Category Natural Product
Molecule Name AC1LCVGL
IUPAC Name (E)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one
Synonyms SureCN5590917;EINECS 246-069-2;ZINC18189423;UNII-QP734LIN1K component UZFLPKAIBPNNCA-ABZNLYFFSA-N;(E)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one;(R-(E))-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one;24190-29-2
InChi InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m1/s1
Formula C13H20O Molecular Weight 192.30
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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).

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National University of Singapore, Singapore

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