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CHEBI:132703 - strychnine N-oxide

Default Structure
ChEBI IDCHEBI:132703
ChEBI Namestrychnine N-oxide
Stars
ASCII Namestrychnine N-oxide
DefinitionA tertiary amine oxide resulting from the oxidation of the non-acylated nitrogen of strychnine. It is a metabolite of strychnine.
Last Modified1 February 2017
Submitterliuqingping
DownloadsMolfile
FormulaC21H22N2O3
Net Charge0
Average Mass350.418
Monoisotopic Mass350.16304
SMILES[H][C@@]12N3C(=O)C[C@]4([H])OCC=C5C[N+]6([O-])CC[C@@]1(c1ccccc13)[C@]6([H])C[C@]5([H])[C@]24[H]
InChIInChI=1S/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+,23?/m0/s1
InChIKeyADTDBAKUQAKBGZ-VXJIXCKJSA-N
Species of MetaboliteComponentSourceComments
Strychnos icaja (ncbitaxon:1040889) root (BTO:0001188) PubMed (12560037)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
strychnine N-oxide (CHEBI:132703) has functional parent strychnine (CHEBI:28973)
strychnine N-oxide (CHEBI:132703) has role plant metabolite (CHEBI:76924)
strychnine N-oxide (CHEBI:132703) is a monoterpenoid indole alkaloid (CHEBI:65323)
strychnine N-oxide (CHEBI:132703) is a organic heteroheptacyclic compound (CHEBI:52157)
strychnine N-oxide (CHEBI:132703) is a tertiary amine oxide (CHEBI:134363)
IUPAC Name 
(1S,11S,18S,20R,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2,4,6,14-tetraen-9-one 17-oxide
Synonyms  Source
N-oxystrychnineChemIDplus
genostrychnineChemIDplus
strychnidin-10-one, 19-oxideChemIDplus
strychnine 19-oxideChemIDplus
strychnine-N-oxideChemIDplus
strychnine N6-oxideChemIDplus
Manual XrefsDatabases
73393PubChem Compound
Registry NumbersSources
Reaxys:57208Reaxys
CAS:7248-28-4ChemIDplus
Citations