CFam Chemical Families Database
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You are searching for "CFAMM00046193" 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 CFAMM00046193
Family CFFAD281 Muscarinic acetylcholine receptor M2 ligand Tropane alkaloid Scopolamine Family
Superfamily CFSAD248 Muscarinic acetylcholine receptor ligand Tropane alkaloid Atropine Scopolamine Superfamily
Class CFCAD238 Class 238
External ID HMDB14605 External Source HMDB
PubChem CID 23724781 Functional Category Human Metabolite
Molecule Name Methylscopolamine
IUPAC Name (1S,5S,7R)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide
Synonyms Methscopolamine
InChi InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14+,15+,16?,17?;/m1./s1
InChiKey CXYRUNPLKGGUJF-JIRGPDKYSA-M
Formula C18H24BrNO4 Molecular Weight 398.29
Cross Link DB00462
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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