CFam Chemical Families Database
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You are searching for "CFAMM00277125" 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 CFAMM00277125
Family CFFID2818 Cytochrome P450 3A4 Inhibitor (-)-cubebininolide Family
Superfamily CFSCD606 Oxi4503 Superfamily
Class CFCCD428 Class 1241
External ID ZINC04029893 External Source ZINC
PubChem CID 7079499 Functional Category Natural Product
Molecule Name AC1OEEOF
IUPAC Name diethyl (1S,2S,3S,4S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Synonyms ZINC04029893;diethyl (1S,2S,3S,4S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
InChi InChI=1S/C20H26O8/c1-5-27-18(23)16-13(22)10-20(3,25)17(19(24)28-6-2)15(16)11-7-8-12(21)14(9-11)26-4/h7-9,15-17,21,25H,5-6,10H2,1-4H3/t15-,16-,17-,20+/m1/s1
InChiKey YNVNVUVIHRYHDO-VIPLHTEESA-N
Formula C20H26O8 Molecular Weight 394.42
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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