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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:related_synonym: 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione;   CSC
 xref: Beilstein:8153842
 xref_mesh: MESH:C081320
 chemrof_formula: C16H15ClN4O2
 chemrof_smiles: Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O
 chemrof_inchi: 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+
 chemrof_inchikey: WBWFIUAVMCNYPG-BQYQJAHWSA-N
 cyclic_relationship: has_functional_parent CHEBI:27732



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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
EXP
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 chr20:13,315,270...13,332,802
Ensembl chr20:13,315,270...13,332,802
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 chr 8:58,605,403...58,669,339
Ensembl chr 8:58,605,403...58,669,339
JBrowse link
G Fos Fos proto-oncogene, AP-1 transcription factor subunit multiple interactions EXP 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 chr 6:110,852,188...110,855,054
Ensembl chr 6:110,852,190...110,855,598
JBrowse link
G Nppa natriuretic peptide A multiple interactions EXP 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 5:163,712,184...163,713,493
Ensembl chr 5:163,712,184...163,713,493
JBrowse link
G Nts neurotensin multiple interactions EXP 8-(3-chlorostyryl)caffeine inhibits the reaction [Haloperidol results in increased expression of NTS mRNA] CTD PMID:10199625 NCBI chr 7:39,451,484...39,460,888
Ensembl chr 7:39,451,073...39,460,961
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      biological role 20831
        pharmacological role 19772
          antagonist 17418
            adenosine receptor antagonist 4105
              adenosine A2A receptor antagonist 3747
                8-(3-chlorostyryl)caffeine 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                organic heterocyclic compound 19381
                                  organic heteropolycyclic compound 18616
                                    organic heterobicyclic compound 17442
                                      imidazopyrimidine 7638
                                        purines 7637
                                          purine alkaloid 4101
                                            methylxanthine 4098
                                              trimethylxanthine 3739
                                                8-(3-chlorostyryl)caffeine 5
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