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CHEBI:7510 - neopinone

ChEBI IDCHEBI:7510
ChEBI Nameneopinone
Stars
DefinitionThe β,γ-unsaturated ketone resulting from the hydrolysis of the methyl enol ether group of thebaine. It is a key intermediate in the biosynthesis of codeine and morphine in the opium poppy, Papaver somniferum.
Last Modified27 March 2023
DownloadsMolfile
FormulaC18H19NO3
Net Charge0
Average Mass297.354
Monoisotopic Mass297.13649
SMILESCOc1ccc2c3c1O[C@H]1C(=O)CC=C4[C@@H](C2)N(C)CC[C@]431
InChIInChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12,17H,5,7-9H2,1-2H3/t12-,17+,18+/m1/s1
InChIKeyLJVKMVSYTWPNGA-UUWFMWQGSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
neopinone (CHEBI:7510) has parent hydride morphinan (CHEBI:35649)
neopinone (CHEBI:7510) is a morphinane alkaloid (CHEBI:25418)
neopinone (CHEBI:7510) is a organic heteropentacyclic compound (CHEBI:38164)
neopinone (CHEBI:7510) is conjugate base of neopinone(1+) (CHEBI:59950)
Incoming Relation(s)
neopinone(1+) (CHEBI:59950) is conjugate acid of neopinone (CHEBI:7510)
IUPAC Name 
3-methoxy-17-methyl-8,14-didehydro-4,5α-epoxymorphinan-6-one
Synonyms  Source
neopinoneKEGG COMPOUND
neopinonChEBI
(5α)-8,14-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-oneChEBI
Manual XrefsDatabases
C06172KEGG COMPOUND
FDB031055FooDB
HMDB0304436HMDB
C00051857KNApSAcK
Registry NumbersSources
Beilstein:44050Beilstein
CAS:509-66-0KNApSAcK
Citations