|
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:antagonist
gptkb:antidepressant
gptkb:antioxidant
gptkb:antiviral_drug
gptkb:recreational_drug
gptkb:vasodilator
gptkb:adenosine_receptor_antagonist
gptkb:bronchodilator
gptkb:phosphodiesterase_inhibitor
gptkb:entomologist
gptkb:antineoplastic_agent
gptkb:muscle_relaxant
gptkb:antibiotic
gptkb:xanthine_oxidase_inhibitor
gptkb:antihypertensive_agent
diuretic
antidiabetic agent
ergogenic aid
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:stimulant
gptkb:food
plant metabolite
|
|
gptkbp:hasSMILES
|
Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
|
gptkbp:heldBy
|
gptkb:methylxanthine
gptkb:alkaloid
purine alkaloid
|
|
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
|
|
gptkbp:bfsLayer
|
7
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
CHEBI:28680
|