CFam Chemical Families Database
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You are searching for "CFAMM00353111" in compound.

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CFAM Mol ID CFAMM00353111
Family CFFBM4129 Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand AGN-PC-075NOV family
Superfamily CFSBM1256 Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 Binder Superfamily 4
Class CFCID1222 Class 2572
External ID ZINC12863748 External Source ZINC
PubChem CID 16400208 Functional Category Natural Product
Molecule Name 3-(2-((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl)-7-((3-methoxybenzyl)oxy)-4,8-dimethyl-2H-chromen-2-one
IUPAC Name 3-[2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-7-[(3-methoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
Synonyms MolPort-002-522-775;ZINC12863748;MCULE-9996069606
InChi InChI=1S/C30H35NO6/c1-19-24-10-11-26(36-18-21-7-6-9-23(15-21)35-3)20(2)28(24)37-29(33)25(19)16-27(32)31-14-13-30(34)12-5-4-8-22(30)17-31/h6-7,9-11,15,22,34H,4-5,8,12-14,16-18H2,1-3H3/t22-,30-/m0/s1
InChiKey BSCVQOHXMYYUIK-CHJDUVSTSA-N
Formula C30H35NO6 Molecular Weight 505.60
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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