CFam Chemical Families Database
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You are searching for "CFAMM00559355" in compound.

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CFAM Mol ID CFAMM00559355
Family CFFNP1330 Putative NP ZINC04084382 Family
Superfamily CFSNP341 3-[[4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-8a-methylspiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one NP ZINC35363872 and octahydrobenzo[f][1]benzofuran-2-one NP ZINC12866668 Superfamily
Class CFCBM348 Class 3398
External ID ZINC12881239 External Source ZINC
PubChem CID 7094090 Functional Category Natural Product
Molecule Name AC1OF6TV
IUPAC Name [(3R,3aR,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-3-yl]methyl-benzyl-methylazanium
Synonyms ZINC12881239;[(3R,3aR,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-3-yl]methyl-benzyl-methylazanium
InChi InChI=1S/C23H29NO2/c1-16-8-7-11-23(2)13-21-18(12-20(16)23)19(22(25)26-21)15-24(3)14-17-9-5-4-6-10-17/h4-6,8-10,12,18-19,21H,7,11,13-15H2,1-3H3/p+1/t18-,19+,21-,23-/m1/s1
InChiKey XXGSVFUSBZGYSU-MHXAIHSWSA-O
Formula C23H30NO2+ Molecular Weight 352.49
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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