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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:8-(3-chlorostyryl)caffeine
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Accession:CHEBI:53115 term browser browse the term
Definition:Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.
Synonyms:exact_synonym: 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
 related_synonym: CSC;   Formula=C16H15ClN4O2;   InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+;   InChIKey=WBWFIUAVMCNYPG-BQYQJAHWSA-N;   SMILES=Cn1c(\\C=C\\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
 xref: Beilstein:8153842;   CAS:147700-11-6
 xref_mesh: MESH:C081320


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8-(3-chlorostyryl)caffeine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G ADORA2A adenosine A2a receptor multiple interactions
increases response to substance		 ISO 8-(3-chlorostyryl)caffeine binds to and results in decreased activity of ADORA2A protein; 8-(3-chlorostyryl)caffeine inhibits the reaction [2-(4-(2-carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine inhibits the reaction [Phenylephrine results in increased expression of ADORA2A mRNA]]; 8-(3-chlorostyryl)caffeine inhibits the reaction [2-(4-(2-carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine inhibits the reaction [Phenylephrine results in increased expression of ADORA2A protein]]; 8-(3-chlorostyryl)caffeine inhibits the reaction [[Oxidopamine co-treated with Levodopa] results in increased expression of ADORA2A protein]
ADORA2A protein results in increased susceptibility to 8-(3-chlorostyryl)caffeine		 CTD PMID:11172060 PMID:15641640 PMID:18608257 PMID:19966059 PMID:21195062 NCBI chr22:24,423,597...24,442,357
Ensembl chr22:24,417,879...24,442,357 		JBrowse link
G DRD2 dopamine receptor D2 affects response to substance
multiple interactions		 ISO DRD2 protein affects the susceptibility to 8-(3-chlorostyryl)caffeine
DRD2 protein affects the susceptibility to [8-(3-chlorostyryl)caffeine co-treated with Reserpine]		 CTD PMID:11172060 NCBI chr11:113,409,605...113,475,398
Ensembl chr11:113,409,605...113,475,691 		JBrowse link
G FOS Fos proto-oncogene, AP-1 transcription factor subunit multiple interactions ISO 8-(3-chlorostyryl)caffeine inhibits the reaction [Haloperidol results in increased expression of FOS mRNA]; 8-(3-chlorostyryl)caffeine promotes the reaction [Quinpirole inhibits the reaction [Reserpine results in increased expression of FOS protein]] CTD PMID:8577368 PMID:10199625 NCBI chr14:75,278,828...75,282,230
Ensembl chr14:75,278,826...75,282,230 		JBrowse link
G NPPA natriuretic peptide A multiple interactions ISO 8-(3-chlorostyryl)caffeine inhibits the reaction [[9-(2-hydroxy-3-nonyl)adenine co-treated with 4-nitrobenzylthioinosine] inhibits the reaction [Phenylephrine results in increased expression of NPPA mRNA]] CTD PMID:19966059 NCBI chr 1:11,845,709...11,847,783
Ensembl chr 1:11,845,709...11,848,345 		JBrowse link
G NTS neurotensin multiple interactions ISO 8-(3-chlorostyryl)caffeine inhibits the reaction [Haloperidol results in increased expression of NTS mRNA] CTD PMID:10199625 NCBI chr12:85,874,295...85,882,992
Ensembl chr12:85,874,295...85,882,992 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26041
    role 25957
      biological role 25936
        xenobiotic 20367
          caffeine 3784
            8-(3-chlorostyryl)caffeine 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            organic molecule 25228
                              organic cyclic compound 24281
                                organic heterocyclic compound 22324
                                  organic heteropolycyclic compound 21329
                                    organic heterobicyclic compound 18582
                                      imidazopyrimidine 8068
                                        purines 8067
                                          aminopurine 7046
                                            2-aminopurines 6613
                                              guanine 6586
                                                xanthine 6506
                                                  methylxanthine 4152
                                                    trimethylxanthine 3784
                                                      caffeine 3784
                                                        8-(3-chlorostyryl)caffeine 5
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