CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00096217" 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 CFAMM00096217
Family CFFAD703 DNA Binder Methoxsalen Family
Superfamily CFSAD596 DNA Binder Methoxsalen Superfamily
Class CFCAD543 Class 543
External ID CHEMBL1078442 External Source CHEMBL
PubChem CID 5471349 Functional Category Bioactive
Molecule Name Bergamottin
IUPAC Name 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
Synonyms Bergamotine;5-Geranoxypsoralen;Bergaptin;7380-40-7;4-{[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one;Bergamotin;Bergomottin;5-Geranyloxypsoralen;AC1NV7JD;Ambotz7380-40-7
InChi InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChiKey DBMJZOMNXBSRED-OQLLNIDSSA-N
Formula C21H22O4 Molecular Weight 338.40
Cross Link CHEMBL1078442
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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