Statements (56)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:CASNumber |
58-08-2
|
| gptkbp:form |
C8H10N4O2
|
| gptkbp:foundIn |
gptkb:guarana
gptkb:café gptkb:yerba_mate cocoa cola nuts |
| gptkbp:hasBiologicalActivity |
gptkb:entomologist
gptkb:antibiotic antioxidant antagonist antiviral drug recreational drug antineoplastic agent antidepressant muscle relaxant diuretic antidiabetic agent antihypertensive agent adenosine receptor antagonist bronchodilator phosphodiesterase inhibitor xanthine oxidase inhibitor ergogenic aid vasodilator vasoconstrictor agent neurotransmitter modulator food contaminant analgesic adjuvant antiasthmatic drug antimigraine drug cardiotonic drug central nervous system drug cognitive enhancer weight loss drug |
| gptkbp:hasInChIKey |
RYYVLZVUVIJVGH-UHFFFAOYSA-N
|
| gptkbp:hasRole |
gptkb:food
stimulant plant metabolite |
| gptkbp:hasSMILES |
Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
| gptkbp:heldBy |
gptkb:methylxanthine
alkaloid purine alkaloid |
| https://www.w3.org/2000/01/rdf-schema#label |
CHEBI:28680
|
| gptkbp:IUPACName |
1,3,7-Trimethylpurine-2,6-dione
|
| gptkbp:KEGGID |
C07481
|
| gptkbp:mass |
194.080375 g/mol
|
| gptkbp:name |
caffeine
|
| gptkbp:PubChem_CID |
gptkb:CHEBI:28680
2519 DB00201 CHEMBL113 |
| gptkbp:bfsParent |
gptkb:atrazine
gptkb:Atrazine |
| gptkbp:bfsLayer |
7
|