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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:theobromine
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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


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theobromine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Akt1 AKT serine/threonine kinase 1 multiple interactions EXP [Theobromine co-treated with Theanine] inhibits the reaction [1,2-dimethylhydrazine increases expression and phosphorylation of Akt1 mRNA and protein, respectively in the colon] RGD PMID:33360052 RGD:127229954 NCBI chr 6:131,713,716...131,735,319
Ensembl chr 6:131,713,720...131,733,921
JBrowse link
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 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
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 1:195,840,330...195,850,728
Ensembl chr 1:195,840,058...195,864,023
JBrowse link
G Jak2 Janus kinase 2 multiple interactions EXP [Theobromine co-treated with Theanine] inhibits the reaction [1,2-dimethylhydrazine increases expression and phosphorylation of Jak2 mRNA and protein, respectively in the colon] RGD PMID:33360052 RGD:127229954 NCBI chr 1:226,995,334...227,054,381
Ensembl chr 1:226,995,334...227,054,189
JBrowse link
G Mki67 marker of proliferation Ki-67 multiple interactions EXP [Theobromine co-treated with Theanine] inhibits the reaction [1,2-dimethylhydrazine increases expression Mki67 protein in the colon] RGD PMID:33360052 RGD:127229954 NCBI chr 1:190,496,319...190,522,983
Ensembl chr 1:190,496,319...190,522,762
JBrowse link
G Mtor mechanistic target of rapamycin kinase multiple interactions EXP [Theobromine co-treated with Theanine] inhibits the reaction [1,2-dimethylhydrazine increases expression and phosphorylation of Mtor mRNA and protein, respectively in the colon] RGD PMID:33360052 RGD:127229954 NCBI chr 5:158,884,856...158,994,311
Ensembl chr 5:158,884,804...158,994,311
JBrowse link
G Rps6kb1 ribosomal protein S6 kinase B1 multiple interactions EXP [Theobromine co-treated with Theanine] inhibits the reaction [1,2-dimethylhydrazine increases expression and phosphorylation of Rps6kb1 mRNA and protein, respectively in the colon] RGD PMID:33360052 RGD:127229954 NCBI chr10:71,323,777...71,367,908
Ensembl chr10:71,323,777...71,367,908
JBrowse link
G Smad2 SMAD family member 2 treatment IEP [Theobromine co-treated with Theanine] inhibits the reaction [1,2-dimethylhydrazine decreases expression and phosphorylation of Smad2 mRNA and protein, respectively in the colon] RGD PMID:33360052 RGD:127229954 NCBI chr18:69,849,884...69,918,926
Ensembl chr18:69,850,377...69,912,323
JBrowse link
G Smad4 SMAD family member 4 multiple interactions EXP [Theobromine co-treated with Theanine] inhibits the reaction [1,2-dimethylhydrazine decreases expression of Smad4 mRNA in the colon] RGD PMID:33360052 RGD:127229954 NCBI chr18:67,243,742...67,274,438
Ensembl chr18:67,243,742...67,274,438
JBrowse link
G Stat3 signal transducer and activator of transcription 3 multiple interactions EXP [Theobromine co-treated with Theanine] inhibits the reaction [1,2-dimethylhydrazine increases expression and phosphorylation of Stat3 mRNA and protein, respectively in the colon] RGD PMID:33360052 RGD:127229954 NCBI chr10:85,811,206...85,863,057
Ensembl chr10:85,811,218...85,863,057
JBrowse link
G Tgfb1 transforming growth factor, beta 1 multiple interactions EXP [Theobromine co-treated with Theanine] inhibits the reaction [1,2-dimethylhydrazine decreases expression of Tgfb1 mRNA and protein in the colon] RGD PMID:33360052 RGD:127229954 NCBI chr 1:81,196,532...81,212,848
Ensembl chr 1:81,196,532...81,212,847
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    role 19761
      biological role 19761
        physiological role 19759
          food component 19759
            theobromine 11
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic molecule 19560
                              organic cyclic compound 19351
                                organic heterocyclic compound 18582
                                  organic heteropolycyclic compound 18059
                                    organic heterobicyclic compound 16869
                                      imidazopyrimidine 5611
                                        purines 5609
                                          aminopurine 4427
                                            2-aminopurines 4032
                                              guanine 3996
                                                xanthine 3906
                                                  methylxanthine 1145
                                                    dimethylxanthine 540
                                                      theobromine 11
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