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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
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 chr20:14,265,251...14,282,873
Ensembl chr20:14,265,252...14,282,873
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 8:53,678,777...53,743,643
Ensembl chr 8:53,678,777...53,743,642
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 6:109,300,433...109,303,299
Ensembl chr 6:109,300,433...109,303,299
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 5:164,808,407...164,809,716
Ensembl chr 5:164,808,323...164,809,705
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 7:44,111,594...44,120,998
Ensembl chr 7:44,111,151...44,121,130
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19792
      biological role 19792
        xenobiotic 18434
          caffeine 690
            8-(3-chlorostyryl)caffeine 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19732
                    p-block element atom 19732
                      carbon group element atom 19636
                        carbon atom 19625
                          organic molecular entity 19625
                            organic molecule 19556
                              organic cyclic compound 19365
                                organic heterocyclic compound 18486
                                  organic heteropolycyclic compound 17874
                                    organic heterobicyclic compound 16808
                                      imidazopyrimidine 5578
                                        purines 5576
                                          aminopurine 4406
                                            2-aminopurines 4015
                                              guanine 3979
                                                xanthine 3897
                                                  methylxanthine 1143
                                                    trimethylxanthine 690
                                                      caffeine 690
                                                        8-(3-chlorostyryl)caffeine 5
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