Statements (30)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
gptkb:mycotoxin gptkb:alkaloid |
| gptkbp:ATCCode |
N/A (not assigned)
|
| gptkbp:CASNumber |
511-09-1
|
| gptkbp:chemicalFormula |
C32H41N5O5
|
| gptkbp:drugClass |
prolactin inhibitor
|
| gptkbp:foundIn |
gptkb:Claviceps_purpurea
|
| gptkbp:hasInChIKey |
JQWQGHRQJXKJEE-ISWQYTDZSA-N
|
| gptkbp:hasSMILES |
CN1CC(C2=CNC3=CC=CC=C32)C4=C1C=CC5=C4C(=O)N(C5=O)C6CCCN6C7=CC=CC=C7
|
| gptkbp:hasUNII |
1J8F8K2J0Q
|
| gptkbp:isomerOf |
alpha-ergocryptine
beta-ergocryptine |
| gptkbp:IUPACName |
(6aR,9R)-N-[(2S,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-2,3,4,5,6,10a,10b,11-octahydro-1H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-9-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
|
| gptkbp:mechanismOfAction |
dopamine receptor agonist
|
| gptkbp:molecularWeight |
575.7 g/mol
|
| gptkbp:PubChem_CID |
3033976
CHEMBL2104292 |
| gptkbp:relatedTo |
gptkb:ergotamine
bromocriptine |
| gptkbp:sideEffect |
nausea
vomiting hypotension hallucinations |
| gptkbp:toxicity |
ergotism
vasoconstriction |
| gptkbp:usedAs |
gptkb:dopamine_agonist
|
| gptkbp:bfsParent |
gptkb:ergot_alkaloids
|
| gptkbp:bfsLayer |
8
|
| https://www.w3.org/2000/01/rdf-schema#label |
ergocryptine
|