CFam Chemical Families Database
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You are searching for "CFAMM00277189" 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 CFAMM00277189
Family CFFID2818 Cytochrome P450 3A4 Inhibitor (-)-cubebininolide Family
Superfamily CFSCD606 Oxi4503 Superfamily
Class CFCCD428 Class 1241
External ID CHEMBL97543 External Source CHEMBL
PubChem CID 92122 Functional Category Bioactive
Molecule Name beta-Peltatin A
IUPAC Name (5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Synonyms beta-Peltatin;PELTATIN B;Peltatin methyl ether;PELTATIN, BETA;alpha-Peltalin A;NSC24819;NSC 24819;BRN 0099483;AI3-50532;CHEBI:74867
InChi InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1
InChiKey HLBPOYVRLSXWJJ-PDSMFRHLSA-N
Formula C22H22O8 Molecular Weight 414.41
Cross Link CHEMBL97543
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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