CFam Chemical Families Database
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You are searching for "CFAMM00016740" in compound.

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CFAM Mol ID CFAMM00016740
Family CFFAD82 Beta adrenergic receptor ligand naphthol derivative Propranolol family
Superfamily CFSAD80 Adrenergic receptor ligand Propranolol Levobunolol Metipranolol Superfamily
Class CFCAD80 Class 80
External ID ZINC02124576 External Source ZINC
PubChem CID 1779309 Functional Category Natural Product
Molecule Name (2S)-1-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-3-phenoxypropan-2-ol
IUPAC Name (2S)-1-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-3-phenoxypropan-2-ol
Synonyms AC1LWMMN;(2S)-1-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-3-phenoxypropan-2-ol
InChi InChI=1S/C21H27NO4/c1-15-19-12-21(25-3)20(24-2)11-16(19)9-10-22(15)13-17(23)14-26-18-7-5-4-6-8-18/h4-8,11-12,15,17,23H,9-10,13-14H2,1-3H3/p+1/t15-,17+/m1/s1
InChiKey OZNLOODEISPZDJ-WBVHZDCISA-O
Formula C21H28NO4+ Molecular Weight 358.45
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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