|
gptkbp:instanceOf
|
alkaloid
opioid
|
|
gptkbp:ATCCode
|
N02AA10
|
|
gptkbp:boilingPoint
|
decomposes before boiling
|
|
gptkbp:CASNumber
|
115-37-7
|
|
gptkbp:chemicalFormula
|
C19H21NO3
|
|
gptkbp:color
|
white
|
|
gptkbp:controlledSubstanceSchedule
|
gptkb:Australia
gptkb:Canada
gptkb:United_Kingdom
gptkb:United_States
|
|
gptkbp:flavor
|
bitter
|
|
gptkbp:foundIn
|
gptkb:Papaver_somniferum
gptkb:opium_poppy
gptkb:Papaver_bracteatum
|
|
gptkbp:hasChEMBL
|
CHEMBL1201192
|
|
gptkbp:hasSMILES
|
COC1=C2C3=C(C=C1)O[C@H]4[C@@H](C2)N(CC5=C4C=CC(=C5)OC)C
|
|
gptkbp:hasSolubilityInAlcohol
|
soluble
|
|
gptkbp:hasSolubilityInChloroform
|
soluble
|
|
gptkbp:hasSolubilityInEther
|
soluble
|
|
gptkbp:hasUNII
|
O39QO1J8U4
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
thebaine
|
|
gptkbp:isNotUsedAsAnalgesic
|
yes
|
|
gptkbp:isNotUsedMedically
|
yes
|
|
gptkbp:isStructurallyRelatedTo
|
gptkb:codeine
gptkb:morphine
gptkb:oripavine
|
|
gptkbp:IUPACName
|
gptkb:(5α,6α)-7,8-didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan
|
|
gptkbp:meltingPoint
|
193 °C
|
|
gptkbp:molecularWeight
|
311.38 g/mol
|
|
gptkbp:predecessor
|
gptkb:oxycodone
gptkb:naloxone
gptkb:buprenorphine
gptkb:etorphine
gptkb:naltrexone
hydrocodone
|
|
gptkbp:PubChem_CID
|
5360616
CHEBI:28939
DB13598
|
|
gptkbp:solubility
|
slightly soluble
|
|
gptkbp:toxicity
|
yes
|
|
gptkbp:usedFor
|
synthesis of semi-synthetic opioids
|
|
gptkbp:bfsParent
|
gptkb:Papaver
gptkb:Papaver_somniferum
gptkb:Opium_poppy
gptkb:Papaveraceae
|
|
gptkbp:bfsLayer
|
6
|