CFam Chemical Families Database
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You are searching for "CFAMM00214863" in compound.

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CFAM Mol ID CFAMM00214863
Family CFFID596 Histamine H3 receptor Ligand A-317920 Family
Superfamily CFSID489 Histamine H3 receptor Ligand A-317920 Superfamily
Class CFCID341 Class 1691
External ID ZINC20112566 External Source ZINC
PubChem CID 7079014 Functional Category Natural Product
Molecule Name (3S,3aR,8aR,9aR)-3-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
IUPAC Name (3R,3aR,8aR,9aR)-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Synonyms ZINC20112566;(3R,3aR,8aR,9aR)-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
InChi InChI=1S/C24H32N2O4/c1-16-5-3-7-24(2)14-21-17(13-19(16)24)18(23(28)30-21)15-25-8-10-26(11-9-25)22(27)20-6-4-12-29-20/h4,6,12,17-18,21H,3,5,7-11,13-15H2,1-2H3/t17-,18+,21-,24-/m1/s1
InChiKey UFAAOAUAAMIQQW-YVXPOVKHSA-N
Formula C24H32N2O4 Molecular Weight 412.52
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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