CFam Chemical Families Database
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You are searching for "CFAMM00576133" in compound.

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CFAM Mol ID CFAMM00576133
Family CFFNP4989 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one NP Agn-pc-05gfc8 Family
Superfamily CFSNP556 9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one NP Agn-pc-0960zm and 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one NP Agn-pc-05gfc8 Superfamily
Class CFCAD288 Class 288
External ID ZINC20605036 External Source ZINC
PubChem CID 29091060 Functional Category Natural Product
Molecule Name AGN-PC-05GFC8
IUPAC Name 4-(6-chloro-2-oxochromen-3-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one
Synonyms ZINC20605036;4-(6-chloro-2-oxochromen-3-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one
InChi InChI=1S/C25H23ClN2O6/c26-16-1-4-22-15(11-16)12-19(25(32)33-22)18-13-23(31)34-24-17(18)2-3-21(30)20(24)14-28-7-5-27(6-8-28)9-10-29/h1-4,11-13,29-30H,5-10,14H2/p+1
InChiKey KMAKZSXUHOXGNT-UHFFFAOYSA-O
Formula C25H24ClN2O6+ Molecular Weight 483.92
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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