CHEBI:132666 - pseudostrychnine

ChEBI IDCHEBI:132666
ChEBI Namepseudostrychnine
Stars
DefinitionA monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 16 has been replaced by a hydroxy group.
Last Modified10 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC21H22N2O3
Net Charge0
Average Mass350.418
Monoisotopic Mass350.16304
SMILES[H][C@@]12N3C(=O)C[C@]4([H])OCC=C5CN6CC[C@@]1(c1ccccc13)[C@]6(O)C[C@]5([H])[C@]24[H]
InChIInChI=1S/C21H22N2O3/c24-17-9-16-18-13-10-21(25)20(6-7-22(21)11-12(13)5-8-26-16)14-3-1-2-4-15(14)23(17)19(18)20/h1-5,13,16,18-19,25H,6-11H2/t13-,16-,18-,19-,20-,21+/m0/s1
InChIKeyHCCFPODVEOBUMM-YOQTYQRRSA-N
Species of MetaboliteComponentSourceComments
Strychnos nux-vomica (ncbitaxon:28545) seed (BTO:0001226) PubMed (19235686)
Strychnos icaja (ncbitaxon:1040889) root (BTO:0001188) PubMed (12560037)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
pseudostrychnine (CHEBI:132666) has functional parent strychnine (CHEBI:28973)
pseudostrychnine (CHEBI:132666) has role plant metabolite (CHEBI:76924)
pseudostrychnine (CHEBI:132666) is a hemiaminal (CHEBI:73080)
pseudostrychnine (CHEBI:132666) is a monoterpenoid indole alkaloid (CHEBI:65323)
pseudostrychnine (CHEBI:132666) is a organic heteroheptacyclic compound (CHEBI:52157)
pseudostrychnine (CHEBI:132666) is a δ-lactam (CHEBI:77727)
IUPAC Name 
16-hydroxystrychnidin-10-one
Synonyms  Source
16-hydroxystrychnineChEBI
(−)-pseudostrychnineChEBI
Manual XrefsDatabases
21723446PubChem Compound
C00025200KNApSAcK
Registry NumbersSources
Reaxys:53707Reaxys
Reaxys:1091567Reaxys
CAS:465-62-3KNApSAcK
Citations