CFam Chemical Families Database
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You are searching for "CFAMM00575616" in compound.

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CFAM Mol ID CFAMM00575616
Family CFFNP4848 Putative NP ZINC09575270 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 ZINC09482089 External Source ZINC
PubChem CID 17590450 Functional Category Natural Product
Molecule Name STOCK6S-33166
IUPAC Name [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 4-methoxybenzenesulfonate
Synonyms MolPort-004-931-193;STK992386;ZINC09482089;AKOS002295267;ST50796021;F3385-4887;(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzenesulfonate;2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-3-oxobenzo[3,4-b]furan-6-yl 4-me thoxybenzenesulfonate
InChi InChI=1S/C23H16O8S/c1-27-15-3-6-17(7-4-15)32(25,26)31-16-5-8-18-20(12-16)30-22(23(18)24)11-14-2-9-19-21(10-14)29-13-28-19/h2-12H,13H2,1H3/b22-11-
InChiKey CEZRPTYJYUWHDV-JJFYIABZSA-N
Formula C23H16O8S Molecular Weight 452.43
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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