has role dimethylxanthine theobromine 180.065 180.16418 3,7-Dimethylxanthine 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione 3,7-dimethylpurine-2,6-dione 3,7-dimethylxanthine 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. Beilstein:16464 C7H8N4O2 CAS:83-67-0 CHEBI:26939 CHEBI:28946 CHEBI:39914 CHEBI:9521 Cn1cnc2n(C)c(=O)[nH]c(=O)c12 DrugBank:DB01412 Drug_Central:2618 Gmelin:143367 HMDB:HMDB0002825 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) KEGG:C07480 KNApSAcK:C00001509 LINCS:LSM-5483 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 THEOBROMINE Theobromin Theobromine Wikipedia:Theobromine YAPQBXQYLJRXSA-UHFFFAOYSA-N chebi_ontology theobromine plant metabolite food component