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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 chr20:13,315,848...13,333,386
Ensembl chr20:13,315,853...13,333,386
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 8:49,708,927...49,772,876
Ensembl chr 8:49,708,927...49,772,875
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 6:105,121,170...105,124,036
Ensembl chr 6:105,121,170...105,124,036
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 5:158,429,042...158,430,351
Ensembl chr 5:158,429,042...158,430,351
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 7:37,564,944...37,574,350
Ensembl chr 7:37,564,533...37,574,423
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    role 19868
      biological role 19866
        xenobiotic 18753
          caffeine 3731
            8-(3-chlorostyryl)caffeine 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            organic molecule 19724
                              organic cyclic compound 19515
                                organic heterocyclic compound 18890
                                  organic heteropolycyclic compound 18310
                                    organic heterobicyclic compound 17252
                                      imidazopyrimidine 7759
                                        purines 7758
                                          aminopurine 6727
                                            2-aminopurines 6301
                                              guanine 6274
                                                xanthine 6193
                                                  methylxanthine 4086
                                                    trimethylxanthine 3731
                                                      caffeine 3731
                                                        8-(3-chlorostyryl)caffeine 5
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