CFam Chemical Families Database
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You are searching for "CFAMM00574439" in compound.

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CFAM Mol ID CFAMM00574439
Family CFFNP4704 1-benzofuran-3-one NP ZINC09050975 Family
Superfamily CFSNP425 1-benzofuran-3-carboxylate NP 3-(4-bromophenyl)-4,9-dimethyl-7h-furo[2,3-f]chromen-7-one and 1-benzofuran-3-one NP ZINC09050975 Superfamily
Class CFCBM1283 Class 4333
External ID ZINC13656338 External Source ZINC
PubChem CID 17592715 Functional Category Natural Product
Molecule Name STOCK6S-39294
IUPAC Name [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylbenzoate
Synonyms MolPort-004-931-807;STK992983;ZINC13656338;AKOS002296007;ST50796658;(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylbenzoate;2-[(6-bromo(2H,4H-benzo[e]1,3-dioxan-8-yl))methylene]-3-oxobenzo[3,4-b]furan-6 -yl 2-methylbenzoate
InChi InChI=1S/C25H17BrO6/c1-14-4-2-3-5-19(14)25(28)31-18-6-7-20-21(11-18)32-22(23(20)27)10-15-8-17(26)9-16-12-29-13-30-24(15)16/h2-11H,12-13H2,1H3/b22-10-
InChiKey MWQDEPPIDNWGEP-YVNNLAQVSA-N
Formula C25H17BrO6 Molecular Weight 493.30
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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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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