|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:boilingPoint
|
178°C (sublimes)
|
|
gptkbp:charge
|
0
|
|
gptkbp:foundIn
|
gptkb:guarana
gptkb:café
cocoa
mate
cola
|
|
gptkbp:hasAverageMass
|
194.19
|
|
gptkbp:hasCASRegistryNumber
|
58-08-2
|
|
gptkbp:hasInChIKey
|
RYYVLZVUVIJVGH-UHFFFAOYSA-N
|
|
gptkbp:hasMolecularFormula
|
C8H10N4O2
|
|
gptkbp:hasMonoisotopicMass
|
194.08038
|
|
gptkbp:hasRole
|
recreational drug
stimulant
adenosine receptor antagonist
plant metabolite
|
|
gptkbp:hasSMILES
|
Cn1cnc2c1c(=O)n(C)c(=O)n2C
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
CHEBI:2766
|
|
gptkbp:IUPACName
|
gptkb:1,3,7-trimethylpurine-2,6-dione
|
|
gptkbp:listedOn
|
gptkb:MeSH
gptkb:Wikipedia
gptkb:PubChem
gptkb:ChemSpider
gptkb:ChEBI
gptkb:DrugBank
gptkb:KEGG
|
|
gptkbp:meltingPoint
|
238°C
|
|
gptkbp:metabolism
|
gptkb:CYP1A2
|
|
gptkbp:name
|
caffeine
|
|
gptkbp:partOf
|
purine alkaloids
methylxanthines
xanthines
|
|
gptkbp:synonym
|
gptkb:1,3,7-trimethylxanthine
gptkb:guaranine
gptkb:mateine
gptkb:methyltheobromine
gptkb:theine
|
|
gptkbp:bfsParent
|
gptkb:angiotensin_I
gptkb:2,4-D
|
|
gptkbp:bfsLayer
|
7
|