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CHEBI:7782 - oripavine

ChEBI IDCHEBI:7782
ChEBI Nameoripavine
Stars
DefinitionA morphinane alkaloid with formula C18H19NO3. It is the major metabolite of thebaine.
Last Modified13 July 2023
DownloadsMolfile
FormulaC18H19NO3
Net Charge0
Average Mass297.354
Monoisotopic Mass297.13649
SMILESCOC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[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/t12-,17+,18+/m1/s1
InChIKeyZKLXUUYLEHCAMF-UUWFMWQGSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (37132502)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
ChEBI Ontology
Outgoing Relation(s)
oripavine (CHEBI:7782) has role bacterial xenobiotic metabolite (CHEBI:76976)
oripavine (CHEBI:7782) has role opioid analgesic (CHEBI:35482)
oripavine (CHEBI:7782) is a ether (CHEBI:25698)
oripavine (CHEBI:7782) is a morphinane alkaloid (CHEBI:25418)
oripavine (CHEBI:7782) is a organic heteropentacyclic compound (CHEBI:38164)
oripavine (CHEBI:7782) is a organic hydroxy compound (CHEBI:33822)
oripavine (CHEBI:7782) is a tertiary amino compound (CHEBI:50996)
oripavine (CHEBI:7782) is conjugate base of oripavine(1+) (CHEBI:194499)
Incoming Relation(s)
thebaine (CHEBI:9519) has functional parent oripavine (CHEBI:7782)
oripavine(1+) (CHEBI:194499) is conjugate acid of oripavine (CHEBI:7782)
IUPAC Name 
6-methoxy-17-methyl-5α-6,7,8,14-tetradehydro-4,5-epoxymorphinan-3-ol
Synonyms  Source
oripavineKEGG COMPOUND
6,7,8,14-tetradehydro-4,5α-epoxy-6-methoxy-17-methyl-morphinan-3-olChEBI
(5α)-6,7,8,14-tetradehydro-4,5-epoxy-6-methoxy-17-methylmorphinan-3-olChEBI
3-O-demethylthebaineChEBI
Manual XrefsDatabases
C06175KEGG COMPOUND
C00028775KNApSAcK
FDB002075FooDB
HMDB0030251HMDB
OripavineWikipedia
AU2008203048Patent
US2010113787Patent
AU2008231127Patent
Registry NumbersSources
CAS:467-04-9KNApSAcK
Citations