CFam Chemical Families Database
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You are searching for "CFAMM00375381" 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 CFAMM00375381
Family CFFBM6852 5-hydroxytryptamine receptor 1A ligand SureCN7763400 family
Superfamily CFSBM3928 5-hydroxytryptamine receptor 1A ligand SureCN7763400 Superfamily
Class CFCAD296 Class 296
External ID ZINC04023525 External Source ZINC
PubChem CID 11872086 Functional Category Natural Product
Molecule Name [(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 2,4-dimethylbenzoate
IUPAC Name [(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 2,4-dimethylbenzoate
Synonyms
InChi InChI=1S/C19H27NO2/c1-14-8-9-17(15(2)12-14)19(21)22-13-16-6-5-11-20-10-4-3-7-18(16)20/h8-9,12,16,18H,3-7,10-11,13H2,1-2H3/p+1/t16-,18+/m0/s1
InChiKey IFUBDYAUWMJOSL-FUHWJXTLSA-O
Formula C19H28NO2+ Molecular Weight 302.43
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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