CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00248217" 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 CFAMM00248217
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 HMDB31737 External Source HMDB
PubChem CID 5372195 Functional Category Human Metabolite
Molecule Name delta-Methylionone
IUPAC Name (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
Synonyms 3-Methyl-b-ionone;4-(2,6, 6-Trimethyl-1-cyclohexenyl)-3-methyl-3-buten-2-one;4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-methyl-3-buten-2-one;b-Iso-Methylionone;D-Methylionone;delta-Iraldeine;FEMA 2713;Isomethyl-beta-ionone;Methyl-delta-ionone
InChi InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+
Formula C14H22O Molecular Weight 206.32
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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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