CHEBI:132664 - isopseudostrychnine

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ChEBI Name isopseudostrychnine
ChEBI ID CHEBI:132664
Definition A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from the seeds of Strychnos nux-vomica.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C21H24N2O3
Net Charge 0
Average Mass 352.428
Monoisotopic Mass 352.17869
InChI InChI=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
InChIKey LECNCQMNELYLCY-XRJCHECESA-N
SMILES O=C1N2[C@@]3([C@@]4([C@]5(N(CC4)C\C(\[C@](C5)([C@]3(CC1)[H])[H])=C\CO)O)C=6C2=CC=CC6)[H]
Metabolite of Species Details
Strychnos nux-vomica (NCBI:txid28545) Found in seed (BTO:0001226). See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isopseudostrychnine (CHEBI:132664) has role plant metabolite (CHEBI:76924)
isopseudostrychnine (CHEBI:132664) is a δ-lactam (CHEBI:77727)
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)
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
Last Modified
10 January 2017