CFam Chemical Families Database
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You are searching for "CFAMM00570866" in compound.

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CFAM Mol ID CFAMM00570866
Family CFFNP3536 benzenesulfonate NP (z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl Benzenesulfonate Family
Superfamily CFSNP456 benzenesulfonate NP (z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl Benzenesulfonate Superfamily
Class CFCBM1919 Class 4969
External ID ZINC09481190 External Source ZINC
PubChem CID 16422800 Functional Category Natural Product
Molecule Name STOCK6S-32932
IUPAC Name [(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzenesulfonate
Synonyms MolPort-000-854-432;STK856330;ZINC09481190;AKOS002295368;ST50796096;AB01321439-02;F3385-4962;2-[(2,3-dimethoxyphenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methoxybenzen esulfonate;(2Z)-2-(2,3-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzenesulfonate
InChi InChI=1S/C24H20O8S/c1-28-16-7-10-18(11-8-16)33(26,27)32-17-9-12-19-21(14-17)31-22(23(19)25)13-15-5-4-6-20(29-2)24(15)30-3/h4-14H,1-3H3/b22-13-
InChiKey KTMROPDJJLPHBY-XKZIYDEJSA-N
Formula C24H20O8S Molecular Weight 468.48
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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