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CHEBI:194499 - oripavine(1+)

ChEBI IDCHEBI:194499
ChEBI Nameoripavine(1+)
Stars
DefinitionThe trialkylammonium ion resulting from the protonation of the amino group of oripavine; Major species at pH 7.3.
Last Modified13 July 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H20NO3
Net Charge+1
Average Mass298.362
Monoisotopic Mass298.14377
SMILESCOC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[NH+]3C)[C@H]1O5
InChIInChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/p+1/t12-,17+,18+/m1/s1
InChIKeyZKLXUUYLEHCAMF-UUWFMWQGSA-O
ChEBI Ontology
Outgoing Relation(s)
oripavine(1+) (CHEBI:194499) is a ammonium ion derivative (CHEBI:35274)
oripavine(1+) (CHEBI:194499) is a organic cation (CHEBI:25697)
oripavine(1+) (CHEBI:194499) is conjugate acid of oripavine (CHEBI:7782)
Incoming Relation(s)
oripavine (CHEBI:7782) is conjugate base of oripavine(1+) (CHEBI:194499)
IUPAC Name 
3-hydroxy-6-methoxy-17-methyl-5α-6,7,8,14-tetradehydro-4,5-epoxymorphinan-17-ium
Synonyms  Source
3-O-demethylthebaine(1+)ChEBI
3-O-demethylthebaine cationChEBI
oripavine cationChEBI
UniProt Name  Source
oripavineUniProt
Manual XrefsDatabases
CPD-7713MetaCyc
Citations