CFam Chemical Families Database
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You are searching for "CFAMM00113124" in compound.

Total 1 results found.

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 CFAMM00113124
Family CFFAD921 Muscarinic acetylcholine receptor Ligand Mebeverine Family
Superfamily CFSAD775 Muscarinic acetylcholine receptor Ligand Mebeverine Superfamily
Class CFCAD333 Class 333
External ID ZINC01816530 External Source ZINC
PubChem CID 7075805 Functional Category Natural Product
Molecule Name AC1OEA1A
IUPAC Name [(1S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 4-butoxy-3-methoxybenzoate
Synonyms ZINC01816530;[(1S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 4-butoxy-3-methoxybenzoate
InChi InChI=1S/C23H36NO4/c1-4-5-15-27-21-12-11-18(16-22(21)26-3)23(25)28-17-19-9-8-14-24(2)13-7-6-10-20(19)24/h11-12,16,19-20H,4-10,13-15,17H2,1-3H3/q+1/t19-,20-,24?/m1/s1
InChiKey KZUFRLKJCLWSAW-GNPFLCDCSA-N
Formula C23H36NO4+ Molecular Weight 390.54
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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