|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:CASNumber
|
58-08-2
|
|
gptkbp:charge
|
0
|
|
gptkbp:form
|
C8H10N4O2
|
|
gptkbp:foundIn
|
gptkb:guarana
gptkb:café
gptkb:yerba_mate
cocoa
cola nuts
|
|
gptkbp:has_functional_parent
|
CHEBI:27568
|
|
gptkbp:has_tautomer
|
CHEBI:15541
|
|
gptkbp:hasInChIKey
|
RYYVLZVUVIJVGH-UHFFFAOYSA-N
|
|
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:28640
|
|
gptkbp:is_a_adenosine_receptor_antagonist
|
true
|
|
gptkbp:is_a_central_nervous_system_stimulant
|
true
|
|
gptkbp:is_a_diuretic
|
true
|
|
gptkbp:is_a_food_additive
|
true
|
|
gptkbp:is_a_methylxanthine
|
true
|
|
gptkbp:is_a_natural_product
|
true
|
|
gptkbp:is_a_plant_metabolite
|
true
|
|
gptkbp:is_a_psychoactive_drug
|
true
|
|
gptkbp:is_a_psychoactive_substance
|
true
|
|
gptkbp:is_a_purine_alkaloid
|
true
|
|
gptkbp:is_a_stimulant
|
true
|
|
gptkbp:is_a_vasoconstrictor_agent
|
true
|
|
gptkbp:is_a_xanthine_derivative
|
true
|
|
gptkbp:isConjugateBaseOf
|
CHEBI:33839
CHEBI:33840
|
|
gptkbp:IUPACName
|
1,3,7-Trimethylpurine-2,6-dione
|
|
gptkbp:KEGGID
|
C07481
|
|
gptkbp:mass
|
194.080375 g/mol
|
|
gptkbp:MeSH_ID
|
D002110
|
|
gptkbp:name
|
caffeine
|
|
gptkbp:PubChem_CID
|
gptkb:CHEBI:28640
2519
DB00201
CHEMBL113
|
|
gptkbp:UNII
|
3G6A5W338E
|
|
gptkbp:bfsParent
|
gptkb:myrcene
|
|
gptkbp:bfsLayer
|
6
|