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CHEBI:18399 - codeinone

ChEBI IDCHEBI:18399
ChEBI Namecodeinone
Stars
Secondary ChEBI IDsCHEBI:2248, CHEBI:14007, CHEBI:23349
Last Modified27 March 2023
DownloadsMolfile
FormulaC18H19NO3
Net Charge0
Average Mass297.354
Monoisotopic Mass297.13649
SMILES[H][C@@]12C=CC(=O)[C@@H]3Oc4c(OC)ccc5c4[C@@]31CCN(C)[C@@H]2C5
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/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
InChIKeyXYYVYLMBEZUESM-CMKMFDCUSA-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)
codeinone (CHEBI:18399) has functional parent morphine (CHEBI:17303)
codeinone (CHEBI:18399) is a isoquinoline alkaloid (CHEBI:24921)
codeinone (CHEBI:18399) is conjugate base of codeinone(1+) (CHEBI:58473)
Incoming Relation(s)
codeinone(1+) (CHEBI:58473) is conjugate acid of codeinone (CHEBI:18399)
IUPAC Name 
3-methoxy-17-methyl-7,8-didehydro-4,5α-epoxymorphinan-6-one
Synonyms  Source
CodeinoneKEGG COMPOUND
(5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-oneKEGG COMPOUND
Manual XrefsDatabases
C06171KEGG COMPOUND
C06171KEGG COMPOUND
C00027603KNApSAcK
Registry NumbersSources
CAS:467-13-0KEGG COMPOUND
Citations