|
gptkbp:instanceOf
|
gptkb:chemical_compound
gptkb:ergoline_alkaloid
|
|
gptkbp:CASNumber
|
82-58-6
|
|
gptkbp:category
|
gptkb:alkaloid
psychoactive drug precursor
|
|
gptkbp:chemicalFormula
|
C16H16N2O2
|
|
gptkbp:contains_functional_group
|
gptkb:carboxylic_acid
gptkb:indole
amide
|
|
gptkbp:discoveredBy
|
gptkb:Arthur_Stoll
gptkb:Albert_Hofmann
|
|
gptkbp:discoveredIn
|
1938
|
|
gptkbp:foundIn
|
gptkb:ergot_fungus
|
|
gptkbp:hasInChIKey
|
JZLPUNWUZLOCSS-VIFPVBQESA-N
|
|
gptkbp:hasSMILES
|
CC1=C2C3=CC=CC=C3N(C2CC4=C1N=CC=C4)C(=O)O
|
|
gptkbp:IUPACName
|
gptkb:(8β)-9,10-didehydro-6-methyl-ergoline-8-carboxylic_acid
|
|
gptkbp:meltingPoint
|
230–233 °C
|
|
gptkbp:molecularWeight
|
264.31 g/mol
|
|
gptkbp:predecessor
|
gptkb:LSD
gptkb:ergometrine
gptkb:ergotamine
gptkb:methylergometrine
|
|
gptkbp:PubChem_CID
|
gptkb:CHEMBL123
28013
10149
|
|
gptkbp:relatedTo
|
gptkb:ergot_alkaloids
gptkb:LSD
ergoline
|
|
gptkbp:solubility
|
slightly soluble in water
soluble in ethanol
soluble in chloroform
|
|
gptkbp:UNII
|
6T6UO836M8
|
|
gptkbp:bfsParent
|
gptkb:ergot_alkaloids
gptkb:lysergic_acid_amide
gptkb:ergot_fungus
|
|
gptkbp:bfsLayer
|
8
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
lysergic acid
|