CHEBI:132699 - 10-hydroxyicajine

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ChEBI Name 10-hydroxyicajine
ChEBI ID CHEBI:132699
Definition A monoterpenoid indole alkaloid with formula C22H24N2O4, originallly isolated from the seeds of Strychnos nux-vomica.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information ChemicalBook:CB5855401, ZINC000005854633
Download Molfile XML SDF
Formula C22H24N2O4
Net Charge 0
Average Mass 380.438
Monoisotopic Mass 380.17361
InChI InChI=1S/C22H24N2O4/c1-23-6-5-22-15-8-13(25)2-3-16(15)24-19(27)10-17-20(21(22)24)14(9-18(22)26)12(11-23)4-7-28-17/h2-4,8,14,17,20-21,25H,5-7,9-11H2,1H3/t14-,17-,20-,21-,22+/m0/s1
InChIKey JQLLSZXDWJGHSJ-ZXXLSYNSSA-N
SMILES [C@@]123[C@@]4([C@]5([C@@](CC1=O)(C(CN(CC2)C)=CCO[C@]5(CC(N4C6=C3C=C(C=C6)O)=O)[H])[H])[H])[H]
Metabolite of Species Details
Strychnos nux-vomica (NCBI:txid28545) Found in seed (BTO:0001226). See: DOI
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 10-hydroxyicajine (CHEBI:132699) has role plant metabolite (CHEBI:76924)
10-hydroxyicajine (CHEBI:132699) is a δ-lactam (CHEBI:77727)
10-hydroxyicajine (CHEBI:132699) is a cyclic ketone (CHEBI:3992)
10-hydroxyicajine (CHEBI:132699) is a monoterpenoid indole alkaloid (CHEBI:65323)
10-hydroxyicajine (CHEBI:132699) is a organic heterohexacyclic compound (CHEBI:51914)
10-hydroxyicajine (CHEBI:132699) is a phenols (CHEBI:33853)
10-hydroxyicajine (CHEBI:132699) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
(4aR,6aS,12aS,12bR,12cS)-8-hydroxy-15-methyl-4a,5,12,12a,12b,12c-hexahydro-11H-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthene-6,11(2H)-dione
Synonym Source
10-hydroxy-19-methyl-16,19-seco-strychnidine-10,16-dione ChEBI
Registry Number Type Source
22594456 Reaxys Registry Number Reaxys
Last Modified
11 January 2017