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CHEBI:7782 - oripavine

Default Structure
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:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
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
3-O-demethylthebaineChEBI
(5α)-6,7,8,14-tetradehydro-4,5-epoxy-6-methoxy-17-methylmorphinan-3-olChEBI
6,7,8,14-tetradehydro-4,5α-epoxy-6-methoxy-17-methyl-morphinan-3-olChEBI
oripavineKEGG COMPOUND
Manual XrefsDatabases
AU2008203048Patent
AU2008231127Patent
C00028775KNApSAcK
C06175KEGG COMPOUND
FDB002075FooDB
HMDB0030251HMDB
OripavineWikipedia
US2010113787Patent
Registry NumbersSources
CAS:467-04-9KNApSAcK
Citations