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 19816
    role 19764
      biological role 19764
        physiological role 19757
          food component 19757
            theobromine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic molecule 19522
                              organic cyclic compound 19320
                                organic heterocyclic compound 18432
                                  organic heteropolycyclic compound 17844
                                    organic heterobicyclic compound 16765
                                      imidazopyrimidine 5443
                                        purines 5441
                                          aminopurine 4398
                                            2-aminopurines 4008
                                              guanine 3972
                                                xanthine 3890
                                                  methylxanthine 1140
                                                    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.