loading...| Preferred Name |
caffeine |
|
| Synonyms |
1-methyltheobromine 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion cafeina teina 1,3,7-trimethylpurine-2,6-dione 1,3,7-trimethyl-2,6-dioxopurine 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione CAFFEINE mateina cafeine Koffein C8H10N4O2 Thein theine 1,3,7-trimethylxanthine methyltheobromine Caffeine guaranine 7-methyltheophylline anhydrous caffeine Coffein |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_27732 |
|
| AHFScode |
28:20.00 92:02.00* 28:20.92 28:08.92 |
|
| altId |
CHEBI:22982 CHEBI:3295 CHEBI:41472 |
|
| ATCCode |
N02BE01 N06BC01 |
|
| blocks | ||
| CASRN |
58-08-2 |
|
| DBBrand |
thein fioricet quick pep wake-up norgesic forte phensal organex cafcit koffein pep-back ercatab coffein eldiatric c keep alert mateina vivarin refresh'n cafecon theine nix nap caffine enerjets cafipel dexitac caffedrine coffeine durvitan alert-pep cafamil no-doz dasin wigraine dhc plus guaranine kofein diurex hycomine miudol stim nodaca |
|
| DBname |
caffeine |
|
| DBSynonym |
cafeina theophylline me methyltheobromide theobromine me caffein methyltheobromine cff |
|
| Definition |
A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. |
|
| has effect |
http://purl.obolibrary.org/obo/OAE_0000882 http://purl.obolibrary.org/obo/OAE_0000801 http://purl.obolibrary.org/obo/OAE_0001073 http://purl.obolibrary.org/obo/OAE_0000365 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0001105 http://purl.obolibrary.org/obo/OAE_0001057 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0000968 http://purl.obolibrary.org/obo/OAE_0000917 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0001345 http://purl.obolibrary.org/obo/OAE_0000618 |
|
| has pharmacological target | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35337 http://purl.obolibrary.org/obo/CHEBI_26619 http://purl.obolibrary.org/obo/CHEBI_71232 http://purl.obolibrary.org/obo/CHEBI_25435 |
|
| InChI |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
|
| InChIKey |
InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N |
|
| inhibits |
http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_0269 http://purl.obolibrary.org/obo/dinto_0901 |
|
| is metabolised by |
http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0293 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_0285 |
|
| is transported by | ||
| label |
caffeine |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_16335 http://purl.obolibrary.org/obo/dinto_DB00857 http://purl.obolibrary.org/obo/CHEBI_3766 http://purl.obolibrary.org/obo/CHEBI_681850 http://purl.obolibrary.org/obo/dinto_DB00365 http://purl.obolibrary.org/obo/CHEBI_63637 http://purl.obolibrary.org/obo/dinto_DB01356 http://purl.obolibrary.org/obo/CHEBI_100241 http://purl.obolibrary.org/obo/CHEBI_100246 http://purl.obolibrary.org/obo/CHEBI_9622 http://purl.obolibrary.org/obo/CHEBI_9398 |
|
| prefixIRI |
obo2:CHEBI_27732 |
|
| prefLabel |
caffeine |
|
| related with |
http://purl.obolibrary.org/obo/dinto_3607 |
|
| SMILES |
Cn1cnc2n(C)c(=O)n(C)c(=O)c12 CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
|
| Synonym |
1-methyltheobromine 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion cafeina teina 1,3,7-trimethylpurine-2,6-dione 1,3,7-trimethyl-2,6-dioxopurine 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione CAFFEINE mateina cafeine Koffein C8H10N4O2 Thein theine 1,3,7-trimethylxanthine methyltheobromine Caffeine guaranine 7-methyltheophylline anhydrous caffeine Coffein |
|
| xref |
CiteXplore:7441110 ChEBI:27732 Beilstein:17705 CiteXplore:19007524 MetaCyc:1-3-7-TRIMETHYLXANTHINE CiteXplore:11022879 National Drug Code Directory:63323-406-03 CiteXplore:15718055 CiteXplore:15257305 IUPHAR:407 CiteXplore:9132918 Reaxys:17705 BindingDB:10849 DrugBank:DB00201 PDB:CFF CiteXplore:19879252 Drugs.com:http://www.drugs.com/caffeine.html CiteXplore:12574990 CiteXplore:11815511 ChEMBL:116485 ChemSpider:2424 CiteXplore:9218278 CiteXplore:14607010 Guide To Pharmacology:407 CiteXplore:12943586 CiteXplore:8347173 CiteXplore:18258404 CiteXplore:19088793 CiteXplore:16709440 CiteXplore:8679661 CiteXplore:10884512 CiteXplore:10983026 CiteXplore:12915014 CiteXplore:18647558 CiteXplore:8332255 CiteXplore:16805851 CiteXplore:17387608 NIST Chemistry WebBook:58-08-2 Wikipedia:Caffeine CiteXplore:10510174 CiteXplore:16143823 CiteXplore:7689104 CiteXplore:11209966 HMDB:HMDB01847 Drugs Product Database (DPD):2241831 CiteXplore:9067318 CiteXplore:19084078 CiteXplore:22770225 CiteXplore:20470411 RxList:http://www.rxlist.com/cgi/generic3/caffeine.htm PDBeChem:CFF CiteXplore:16856769 CiteXplore:16644114 CiteXplore:17932622 PubChem Compound:2519 Gmelin:103040 Wikipedia:http://en.wikipedia.org/wiki/Caffeine CASRN:58-08-2 CiteXplore:9063686 CiteXplore:11410911 CiteXplore:14521986 CiteXplore:10803761 CiteXplore:19047957 KEGG DRUG:D00528 CiteXplore:17508167 PharmGKB:PA448710 CiteXplore:18421070 KEGG COMPOUND:C07481 CiteXplore:18625110 CiteXplore:11431501 PubChem Substance:46506408 CiteXplore:11949272 CiteXplore:15681408 CiteXplore:17132260 |
|
| subClassOf |