CFam Chemical Families Database
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You are searching for "CFAMM00513999" in compound.

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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 CFAMM00513999
Family CFFBM39625 Luciferin 4-monooxygenase and Nuclear receptor ROR-gamma ligand CHEMBL1526910 family
Superfamily CFSBM1867 Luciferin 4-monooxygenase and Inositol monophosphatase 1 Binder Superfamily
Class CFCBM721 Class 3771
External ID ZINC02465912 External Source ZINC
PubChem CID 6541641 Functional Category Natural Product
Molecule Name (S)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl tetrahydrofuran-2-carboxylate
IUPAC Name (2,2,4-trimethyl-1H-quinolin-6-yl) (2S)-oxolane-2-carboxylate
Synonyms AC1O71S4;STOCK1N-09696;MolPort-002-510-991;(2,2,4-trimethyl-1H-quinolin-6-yl) (2S)-oxolane-2-carboxylate
InChi InChI=1S/C17H21NO3/c1-11-10-17(2,3)18-14-7-6-12(9-13(11)14)21-16(19)15-5-4-8-20-15/h6-7,9-10,15,18H,4-5,8H2,1-3H3/t15-/m0/s1
InChiKey SQRBRJKPNNKVOT-HNNXBMFYSA-N
Formula C17H21NO3 Molecular Weight 287.35
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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