CFam Chemical Families Database
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You are searching for "CFAMM00559345" in compound.

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CFAM Mol ID CFAMM00559345
Family CFFNP1329 Putative NP ZINC35363915 Family
Superfamily CFSNP292 Putative NP ZINC04041531 and NP ZINC08790569 Superfamily
Class CFCAD746 Class 746
External ID ZINC20755650 External Source ZINC
PubChem CID 29145133 Functional Category Natural Product
Molecule Name 2-[(1S)-2-[[(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-3-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile
IUPAC Name 2-[(1S)-2-[[(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-3-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile
Synonyms
InChi InChI=1S/C28H36N2O4/c1-17-6-5-9-28(2)15-26-20(13-22(17)28)21(27(31)34-26)16-30-11-8-18-12-24(32-3)25(33-4)14-19(18)23(30)7-10-29/h12-14,17,20-21,23,26H,5-9,11,15-16H2,1-4H3/t17-,20+,21+,23-,26+,28+/m0/s1
InChiKey BLVNXMPBYFIFNR-SJAGSUDHSA-N
Formula C28H36N2O4 Molecular Weight 464.60
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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