has role purine alkaloid trimethylxanthine caffeine 1,3,7-Trimethylxanthine 1,3,7-trimethyl-2,6-dioxopurine 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3,7-trimethylpurine-2,6-dione 1,3,7-trimethylxanthine 1-methyltheobromine 194.080 194.19076 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion 7-methyltheophylline A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. Beilstein:17705 C8H10N4O2 CAFFEINE CAS:58-08-2 CHEBI:22982 CHEBI:27732 CHEBI:3295 CHEBI:41472 Caffeine Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Coffein DrugBank:DB00201 Drug_Central:463 Gmelin:103040 HMDB:HMDB0001847 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 KEGG:C07481 KEGG:D00528 KNApSAcK:C00001492 Koffein LINCS:LSM-2026 MetaCyc:1-3-7-TRIMETHYLXANTHINE PDBeChem:CFF PMID:10510174 PMID:10796597 PMID:10803761 PMID:10822912 PMID:10884512 PMID:10924888 PMID:10983026 PMID:11014293 PMID:11022879 PMID:11209966 PMID:11312039 PMID:11410911 PMID:11431501 PMID:11815511 PMID:11949272 PMID:12397877 PMID:12457274 PMID:12574990 PMID:12915014 PMID:12943586 PMID:14521986 PMID:14607010 PMID:15257305 PMID:15280431 PMID:15681408 PMID:15718055 PMID:15840517 PMID:16143823 PMID:16391865 PMID:16528931 PMID:16644114 PMID:16709440 PMID:16805851 PMID:16856769 PMID:17132260 PMID:17387608 PMID:17508167 PMID:17724925 PMID:17932622 PMID:17957400 PMID:18068204 PMID:18258404 PMID:18421070 PMID:18625110 PMID:18647558 PMID:19007524 PMID:19047957 PMID:19084078 PMID:19088793 PMID:19418355 PMID:19879252 PMID:20164568 PMID:20470411 PMID:22770225 PMID:7441110 PMID:7689104 PMID:8332255 PMID:8347173 PMID:8679661 PMID:9063686 PMID:9067318 PMID:9132918 PMID:9218278 RYYVLZVUVIJVGH-UHFFFAOYSA-N Reaxys:17705 Thein Wikipedia:Caffeine anhydrous caffeine cafeina cafeine caffeine chebi_ontology guaranine mateina methyltheobromine teina theine food additive plant metabolite