CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00303035" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00303035
Family CFFID4138 Liver carboxylesterase 1 Inhibitor 2-methoxy-3,4-methylenedioxybenzophenone Family
Superfamily CFSID2795 Liver carboxylesterase 1 Inhibitor 2-methoxy-3,4-methylenedioxybenzophenone Superfamily
Class CFCID1663 Class 3013
External ID ZINC01447895 External Source ZINC
PubChem CID 1522792 Functional Category Natural Product
Molecule Name 3-(4-bromophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate
IUPAC Name [3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl] 3,4-dimethoxybenzoate
Synonyms AC1LU7NA;STOCK5S-32624;MolPort-000-218-615;STK630503;ZINC01447895;AKOS002183224;MCULE-8765081045;ST50070946;3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl 3,4-dimethoxybenzoate;[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl] 3,4-dimethoxybenzoate
InChi InChI=1S/C25H19BrO6/c1-14-23(15-4-7-17(26)8-5-15)24(27)19-10-9-18(13-21(19)31-14)32-25(28)16-6-11-20(29-2)22(12-16)30-3/h4-13H,1-3H3
InChiKey TVVPNSKUAVCKLV-UHFFFAOYSA-N
Formula C25H19BrO6 Molecular Weight 495.32
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
 

 

27627 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00303035'),None, txtsearch, CFAMM00303035|