CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00295841" 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 CFAMM00295841
Family CFFID3664 Tubulin beta chain Inhibitor Colchinol Family
Superfamily CFSAD354 Acetylcholinesterase Inhibitor Galantamine Superfamily
Class CFCAD332 Class 332
External ID ZINC04029515 External Source ZINC
PubChem CID 6567707 Functional Category Natural Product
Molecule Name AC1O6R8C
IUPAC Name (1R)-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-[4-(2-methylpropyl)phenyl]ethanol
Synonyms ZINC04029515;(1R)-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-[4-(2-methylpropyl)phenyl]ethanol
InChi InChI=1S/C24H31NO4/c1-15(2)11-16-5-7-17(8-6-16)20(26)13-19-22-18(9-10-25(19)3)12-21-23(24(22)27-4)29-14-28-21/h5-8,12,15,19-20,26H,9-11,13-14H2,1-4H3/p+1/t19-,20+/m0/s1
InChiKey OVAVSXLWDUCRCT-VQTJNVASSA-O
Formula C24H32NO4+ Molecular Weight 398.52
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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