Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   

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:theobromine
go back to main search page
Accession:CHEBI:28946 term browser browse the term
Definition:A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator.
Synonyms:related_synonym: 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione;   3,7-dimethylpurine-2,6-dione;   3,7-dimethylxanthine;   Formula=C7H8N4O2;   InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13);   InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N;   SMILES=Cn1cnc2n(C)c(=O)[nH]c(=O)c12;   Theobromin
 alt_id: CHEBI:26939;   CHEBI:39914;   CHEBI:9521
 xref: Beilstein:16464;   CAS:83-67-0;   DrugBank:DB01412;   Drug_Central:2618;   Gmelin:143367;   HMDB:HMDB0002825;   KEGG:C07480;   KNApSAcK:C00001509;   LINCS:LSM-5483
 xref_mesh: MESH:D013805
 xref: MetaCyc:3-7-DIMETHYLXANTHINE;   PDBeChem:37T;   PMID:10456233;   PMID:11600064;   PMID:16979558;   PMID:18632476;   PMID:18964243;   PMID:19018565;   PMID:21839757;   PMID:21871761;   PMID:22751681;   PMID:22770225;   PMID:22824731;   PMID:22866022;   PMID:23094271;   PMID:23236361;   PMID:28166217;   PMID:9468592;   Reaxys:16464;   Wikipedia:Theobromine


show annotations for term's descendants           Sort by:
 
theobromine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 increases metabolic processing
increases chemical synthesis
multiple interactions
ISO CYP1A2 protein results in increased metabolism of Theobromine
CYP1A2 protein results in increased chemical synthesis of Theobromine
[CYP1A2 protein binds to and results in increased metabolism of Caffeine] which results in increased chemical synthesis of Theobromine; furafylline affects the reaction [CYP1A2 protein results in increased metabolism of Theobromine]
CTD PMID:1302044, PMID:10215755, PMID:31132250 NCBI chr 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
JBrowse link
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 multiple interactions
increases metabolic processing
increases chemical synthesis
ISO 4-nitrophenol inhibits the reaction [CYP2E1 protein results in increased metabolism of Theobromine]; Ditiocarb inhibits the reaction [CYP2E1 protein results in increased metabolism of Theobromine]
CYP2E1 protein results in increased chemical synthesis of Theobromine
CTD PMID:1302044, PMID:10215755 NCBI chr 1:213,511,892...213,522,195
Ensembl chr 1:213,511,874...213,535,542
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        physiological role 19725
          food component 19725
            theobromine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic molecule 19486
                              organic cyclic compound 19282
                                organic heterocyclic compound 18407
                                  organic heteropolycyclic compound 17820
                                    organic heterobicyclic compound 16742
                                      imidazopyrimidine 5437
                                        purines 5435
                                          aminopurine 4393
                                            2-aminopurines 4006
                                              guanine 3970
                                                xanthine 3888
                                                  methylxanthine 1137
                                                    dimethylxanthine 529
                                                      theobromine 2
paths to the root

NHLBI Logo

RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.