CFam Chemical Families Database
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You are searching for "CFAMM00142996" 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 CFAMM00142996
Family CFFCD204 Adenosine receptor A2a Ligand KW-6002 Family
Superfamily CFSCD185 Adenosine receptor A2a Ligand KW-6002 Superfamily
Class CFCCD146 Class 959
External ID CHEMBL27203 External Source CHEMBL
PubChem CID 6445882 Functional Category Bioactive
Molecule Name (E)-8-(3,4,5-Trimethoxystyryl)caffeine
IUPAC Name 1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione
Synonyms (E)-8-(2-(3,4,5-Trimethoxyphenyl)ethenyl)-3,4-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,4-dihydro-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-;SureCN2927449;AC1O63D0;CHEBI:136807;51389-37-8;LS-127059;1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione
InChi InChI=1S/C19H22N4O5/c1-21-14(20-17-15(21)18(24)23(3)19(25)22(17)2)8-7-11-9-12(26-4)16(28-6)13(10-11)27-5/h7-10H,1-6H3/b8-7+
InChiKey KIAYWZXEAJWSGJ-BQYQJAHWSA-N
Formula C19H22N4O5 Molecular Weight 386.40
Cross Link CHEMBL27203
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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