CFam Chemical Families Database
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You are searching for "CFAMM00294209" in compound.

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CFAM Mol ID CFAMM00294209
Family CFFID3590 Kappa-type opioid receptor and Mu-type opioid receptor Ligand MR-1029 Family
Superfamily CFSID1448 Mu-type opioid receptor and Kappa-type opioid receptor Binder Superfamily
Class CFCID938 Class 2288
External ID ZINC09033923 External Source ZINC
PubChem CID 40911112 Functional Category Natural Product
Molecule Name methyl (1S,4aR,5S,8aS)-5-[2-[2-[[(2R)-1,2-dimethylpiperidin-1-ium-1-yl]methyl]furan-3-yl]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
IUPAC Name methyl (1S,4aR,5S,8aS)-5-[2-[2-[[(2R)-1,2-dimethylpiperidin-1-ium-1-yl]methyl]furan-3-yl]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
Synonyms
InChi InChI=1S/C29H46NO3/c1-21-11-14-26-28(3,16-9-17-29(26,4)27(31)32-6)24(21)13-12-23-15-19-33-25(23)20-30(5)18-8-7-10-22(30)2/h15,19,22,24,26H,1,7-14,16-18,20H2,2-6H3/q+1/t22-,24+,26+,28-,29+,30?/m1/s1
InChiKey LSPUOZQEYNSVSJ-FLOUPQGYSA-N
Formula C29H46NO3+ Molecular Weight 456.68
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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