CFam Chemical Families Database
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You are searching for "CFAMM00277102" in compound.

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CFAM Mol ID CFAMM00277102
Family CFFID2818 Cytochrome P450 3A4 Inhibitor (-)-cubebininolide Family
Superfamily CFSCD606 Oxi4503 Superfamily
Class CFCCD428 Class 1241
External ID DNC009502 External Source TTD
PubChem CID 192827 Functional Category Investigative Drug
Molecule Name (-)-thujaplicatintrimethyl ether
IUPAC Name (3S,4S)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Synonyms 2(3H)-Furanone, dihydro-3-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-, (3S-trans)-;2(3h)-furanone, dihydro-3-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-,(3s-trans)-;6512-67-0;AC1Q6MJF;AC1L4V25;CHEMBL469917;CTK2F4686;CHEBI:582206;AR-1C7317;DNC009502
InChi InChI=1S/C21H24O7/c1-25-17-8-12(4-5-16(17)22)6-14-11-28-21(24)15(14)7-13-9-18(26-2)20(23)19(10-13)27-3/h4-5,8-10,14-15,22-23H,6-7,11H2,1-3H3/t14-,15+/m1/s1
InChiKey XMLWGUKRPGLJGA-CABCVRRESA-N
Formula C21H24O7 Molecular Weight 388.41
Cross Link CHEMBL469917
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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