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CHEBI:132664 - isopseudostrychnine

ChEBI IDCHEBI:132664
ChEBI Nameisopseudostrychnine
Stars
DefinitionA monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from the seeds of Strychnos nux-vomica.
Last Modified10 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILES[H][C@@]12CCC(=O)N3c4ccccc4[C@@]4(CCN5C/C(=C/CO)[C@]1([H])C[C@]54O)[C@@]32[H]
InChIInChI=1S/C21H24N2O3/c24-10-7-13-12-22-9-8-20-16-3-1-2-4-17(16)23-18(25)6-5-14(19(20)23)15(13)11-21(20,22)26/h1-4,7,14-15,19,24,26H,5-6,8-12H2/b13-7-/t14-,15+,19+,20+,21-/m1/s1
InChIKeyLECNCQMNELYLCY-XRJCHECESA-N
Species of MetaboliteComponentSourceComments
Strychnos nux-vomica (ncbitaxon:28545) seed (BTO:0001226) PubMed (10.1016/j.tet.2012.03.006)
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)
isopseudostrychnine (CHEBI:132664) has role plant metabolite (CHEBI:76924)
isopseudostrychnine (CHEBI:132664) is a hemiaminal (CHEBI:73080)
isopseudostrychnine (CHEBI:132664) is a monoterpenoid indole alkaloid (CHEBI:65323)
isopseudostrychnine (CHEBI:132664) is a olefinic compound (CHEBI:78840)
isopseudostrychnine (CHEBI:132664) is a organic heterohexacyclic compound (CHEBI:51914)
isopseudostrychnine (CHEBI:132664) is a primary alcohol (CHEBI:15734)
isopseudostrychnine (CHEBI:132664) is a tertiary amino compound (CHEBI:50996)
isopseudostrychnine (CHEBI:132664) is a δ-lactam (CHEBI:77727)
IUPAC Name 
(3aS,11aR,11bS,12R,13aR,14E)-13a-hydroxy-14-(2-hydroxyethylidene)-2,3,10,11,11a,12,13,13a-octahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-9-one