CFam Chemical Families Database
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You are searching for "CFAMM00016626" in compound.

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CFAM Mol ID CFAMM00016626
Family CFFAD80 Alpha-2 adrenergic receptor Ligand Yohimbine Family
Superfamily CFSAD78 Alpha-2 adrenergic receptor Ligand Yohimbine Superfamily
Class CFCAD78 Class 78
External ID CHEMBL370005 External Source CHEMBL
PubChem CID 44402579 Functional Category Bioactive
Molecule Name methyl 2-[[(1S,15R,18S,19R)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carbonyl]amino]acetate
IUPAC Name methyl 2-[[(1S,15R,18S,19R)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carbonyl]amino]acetate
Synonyms CHEBI:426235
InChi InChI=1S/C23H29N3O4/c1-30-20(28)11-24-23(29)21-16-10-18-22-15(14-4-2-3-5-17(14)25-22)8-9-26(18)12-13(16)6-7-19(21)27/h2-5,13,16,18-19,21,25,27H,6-12H2,1H3,(H,24,29)/t13-,16?,18-,19-,21+/m0/s1
InChiKey JDERGZWWHCGMHD-NOSKHEOHSA-N
Formula C23H29N3O4 Molecular Weight 411.49
Cross Link CHEMBL370005
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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