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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:1,7-dimethylxanthine
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Accession:CHEBI:25858 term browser browse the term
Definition:A dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals.
Synonyms:related_synonym: 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione;   Formula=C7H8N4O2;   InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13);   InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N;   Paraxanthine;   SMILES=Cn1cnc2[nH]c(=O)n(C)c(=O)c12;   p-Xanthine
 alt_id: CHEBI:34067
 xref: CAS:611-59-6;   HMDB:HMDB0001860;   KEGG:C13747;   LINCS:LSM-20962
 xref_mesh: MESH:C021183
 xref: MetaCyc:1-7-DIMETHYLXANTHINE;   PMID:10416066;   PMID:10572151;   PMID:10593655;   PMID:10877011;   PMID:11090584;   PMID:1128545;   PMID:12110375;   PMID:16870158;   PMID:17655324;   PMID:18621927;   PMID:20004571;   PMID:20614853;   PMID:20853468;   PMID:21380987;   PMID:22770225;   PMID:2882985;   PMID:3371146;   PMID:3798364;   PMID:7920690;   PMID:7977734;   PMID:8529334;   PMID:9920286;   Reaxys:197907;   Wikipedia:Paraxanthine



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1,7-dimethylxanthine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adora2b adenosine A2B receptor multiple interactions ISO ADORA2B mutant form inhibits the reaction [1,7-dimethylxanthine results in decreased expression of and results in decreased activity of HSD11B2 protein]; ADORA2B mutant form inhibits the reaction [1,7-dimethylxanthine results in decreased expression of HSD11B2 mRNA] CTD PMID:22701600 NCBI chr10:46,940,394...46,956,772
Ensembl chr10:46,940,384...46,956,772
JBrowse link
G Apcs amyloid P component, serum multiple interactions ISO 1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of APCS protein] CTD PMID:19962977 NCBI chr13:85,373,338...85,374,134
Ensembl chr13:85,373,220...85,374,298
JBrowse link
G Ccl3 C-C motif chemokine ligand 3 multiple interactions ISO 1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of CCL3 mRNA] CTD PMID:19962977 NCBI chr10:68,451,388...68,452,938
Ensembl chr10:68,451,388...68,452,938
JBrowse link
G Cxcl2 C-X-C motif chemokine ligand 2 multiple interactions ISO 1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of CXCL2 mRNA] CTD PMID:19962977 NCBI chr14:17,181,030...17,183,075
Ensembl chr14:17,181,062...17,183,075
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 increases hydroxylation
increases metabolic processing
multiple interactions
affects metabolic processing
increases chemical synthesis
ISO CYP1A2 protein results in increased hydroxylation of 1,7-dimethylxanthine
CYP1A2 protein results in increased metabolism of 1,7-dimethylxanthine
[CYP1A2 protein binds to and results in increased metabolism of Caffeine] which results in increased chemical synthesis of 1,7-dimethylxanthine; [CYP1A2 protein results in increased metabolism of 1,7-dimethylxanthine] which results in increased chemical synthesis of 1-methylxanthine; [CYP1A2 protein results in increased metabolism of Caffeine] which results in increased chemical synthesis of 1,7-dimethylxanthine
CYP1A2 protein affects the metabolism of 1,7-dimethylxanthine
CYP1A2 protein results in increased chemical synthesis of 1,7-dimethylxanthine
CTD PMID:1302044 PMID:15980104 PMID:19215233 PMID:31132250 NCBI chr 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
JBrowse link
G Hsd11b2 hydroxysteroid 11-beta dehydrogenase 2 multiple interactions
decreases expression
ISO 1,7-dimethylxanthine results in decreased expression of and results in decreased activity of HSD11B2 protein; ADORA2B mutant form inhibits the reaction [1,7-dimethylxanthine results in decreased expression of and results in decreased activity of HSD11B2 protein]; ADORA2B mutant form inhibits the reaction [1,7-dimethylxanthine results in decreased expression of HSD11B2 mRNA]; Colforsin inhibits the reaction [1,7-dimethylxanthine results in decreased expression of and results in decreased activity of HSD11B2 protein]; Colforsin inhibits the reaction [1,7-dimethylxanthine results in decreased expression of HSD11B2 mRNA] CTD PMID:22701600 NCBI chr19:33,397,656...33,402,899
Ensembl chr19:33,397,656...33,402,899
JBrowse link
G Il6 interleukin 6 multiple interactions ISO 1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of IL6 protein]
1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of IL6 mRNA]; 1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of IL6 protein]
CTD PMID:19962977 NCBI chr 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178
JBrowse link
G Mpo myeloperoxidase multiple interactions ISO 1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of MPO protein] CTD PMID:19962977 NCBI chr10:72,594,458...72,608,862
Ensembl chr10:72,594,661...72,604,819
JBrowse link
G Nat2 N-acetyltransferase 2 multiple interactions
increases metabolic processing
ISO [NAT2 protein results in increased metabolism of 1,7-dimethylxanthine] which results in increased chemical synthesis of 5-acetylamino-6-formylamino-3-methyluracil CTD PMID:19215233 NCBI chr16:22,207,362...22,238,513
Ensembl chr16:22,208,194...22,238,520
JBrowse link
G Nfkbia NFKB inhibitor alpha multiple interactions ISO 1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of NFKBIA mRNA] CTD PMID:19962977 NCBI chr 6:72,858,713...72,861,941
Ensembl chr 6:72,858,712...72,861,941
JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO 1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of TNF protein]
1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of TNF mRNA]
CTD PMID:19962977 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629
JBrowse link

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  CHEBI ontology 20089
    role 20042
      application 19781
        pharmaceutical 19624
          drug 19655
            central nervous system drug 16568
              central nervous system stimulant 6871
                1,7-dimethylxanthine 11
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  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic molecule 19856
                              organic cyclic compound 19612
                                organic heterocyclic compound 18824
                                  organic heteropolycyclic compound 18298
                                    organic heterobicyclic compound 17170
                                      imidazopyrimidine 5638
                                        purines 5636
                                          aminopurine 4461
                                            2-aminopurines 4047
                                              guanine 4015
                                                xanthine 3921
                                                  methylxanthine 1150
                                                    dimethylxanthine 541
                                                      1,7-dimethylxanthine 11
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