CFam Chemical Families Database
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You are searching for "CFAMM00571024" in compound.

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CFAM Mol ID CFAMM00571024
Family CFFNP3584 2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-carboxylate NP ZINC04027772 Family
Superfamily CFSID1014 Androgen receptor Ligand LG-121071 Superfamily
Class CFCID694 Class 2044
External ID ZINC00526169 External Source ZINC
PubChem CID 1425206 Functional Category Natural Product
Molecule Name methyl (4aR,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-carboxylate
IUPAC Name methyl (4aR,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-carboxylate
Synonyms AC1LROX9;MCULE-4285891513;methyl (4aR,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-carboxylate
InChi InChI=1S/C15H20N2O2/c1-10-4-5-13-11(8-10)12-9-16(2)7-6-14(12)17(13)15(18)19-3/h4-5,8,12,14H,6-7,9H2,1-3H3/p+1/t12-,14+/m0/s1
InChiKey MAGXJTNGSMADNR-GXTWGEPZSA-O
Formula C15H21N2O2+ Molecular Weight 261.34
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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