alkaloid theobromine 0 180.06473 180.167 pubmed:22824731 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione C7H8N4O2 pubmed:19018565 Cn1cnc2c1c(=O)nc(=O)n2C pubmed:21839757 pubmed:11600064 CHEBI:39914 3,7-dimethylpurine-2,6-dione pubmed:18632476 3,7-dimethylxanthine CHEBI:26939 metacyc.compound:3-7-DIMETHYLXANTHINE pubmed:22770225 hmdb:HMDB0002825 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. 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) 3,7-Dimethylxanthine pubmed:23236361 pubmed:23094271 lincs.smallmolecule:LSM-5483 CHEBI:9521 Theobromin drugbank:DB01412 gmelin:143367 THEOBROMINE pubmed:10456233 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione knapsack:C00001509 CHEBI:28946 kegg.compound:C07480 pubmed:21871761 pubmed:28166217 wikipedia.en:Theobromine reaxys:16464 pubmed:16979558 pubmed:18964243 pubmed:9468592 drugcentral:2618 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione cas:83-67-0 chebi_ontology YAPQBXQYLJRXSA-UHFFFAOYSA-N theobromine pubmed:22866022 pubmed:22751681 Theobromine pdb-ccd:37T