CFam Chemical Families Database
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You are searching for "CFAMM00247937" in compound.

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

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CFAM Mol ID CFAMM00247937
Family CFFID1707 Acetylcholinesterase and Cholinesterase Inhibitor 3-[7-(benzylmethylamino)-heptyloxy]xanthen-9-one Family
Superfamily CFSAD633 Muscarinic acetylcholine receptor Ligand Flavoxate Superfamily
Class CFCAD288 Class 288
External ID ZINC09065644 External Source ZINC
PubChem CID 40922617 Functional Category Natural Product
Molecule Name AGN-PC-05Z6G8
IUPAC Name benzyl-[[3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]-methylazanium
Synonyms ZINC09065644;benzyl-[[3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]-methylazanium
InChi InChI=1S/C27H27NO5/c1-17-25(19-10-13-23(31-3)24(14-19)32-4)26(30)20-11-12-22(29)21(27(20)33-17)16-28(2)15-18-8-6-5-7-9-18/h5-14,29H,15-16H2,1-4H3/p+1
InChiKey HERFLOACOIJPFO-UHFFFAOYSA-O
Formula C27H28NO5+ Molecular Weight 446.51
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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