CFam Chemical Families Database
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You are searching for "CFAMM00432526" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00432526
Family CFFBM15144 Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand SureCN7976023 family
Superfamily CFSBM4875 Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 Binder Superfamily 6
Class CFCBM1042 Class 4092
External ID ZINC04073378 External Source ZINC
PubChem CID 11875684 Functional Category Natural Product
Molecule Name (E)-1-((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-(4-isopropoxy-3-methoxyphenyl)prop-2-en-1-one
IUPAC Name (E)-1-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-en-1-one
Synonyms STOCK1N-48193;MolPort-002-523-088
InChi InChI=1S/C22H31NO4/c1-16(2)27-19-9-7-17(14-20(19)26-3)8-10-21(24)23-13-12-22(25)11-5-4-6-18(22)15-23/h7-10,14,16,18,25H,4-6,11-13,15H2,1-3H3/b10-8+/t18-,22-/m0/s1
InChiKey BMSQLJBLCBYBST-PFPWHMTESA-N
Formula C22H31NO4 Molecular Weight 373.49
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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