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CHEBI:132669 - novacine

ChEBI IDCHEBI:132669
ChEBI Namenovacine
Stars
DefinitionA monoterpenoid indole alkaloid with formula C24H28N2O3, originallly isolated from the seeds of Strychnos nux-vomica.
Last Modified11 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC24H28N2O5
Net Charge0
Average Mass424.497
Monoisotopic Mass424.19982
SMILES[H][C@@]12N3C(=O)C[C@]4([H])OCC=C5CN(C)CC[C@]1(C(=O)C[C@]5([H])[C@]24[H])c1cc(OC)c(OC)cc13
InChIInChI=1S/C24H28N2O5/c1-25-6-5-24-15-9-17(29-2)18(30-3)10-16(15)26-21(28)11-19-22(23(24)26)14(8-20(24)27)13(12-25)4-7-31-19/h4,9-10,14,19,22-23H,5-8,11-12H2,1-3H3/t14-,19-,22-,23-,24+/m0/s1
InChIKeyPOLBLONFVZXVPI-SVFVWZOVSA-N
Species of MetaboliteComponentSourceComments
Strychnos icaja (ncbitaxon:1040889) - PubMed (25594733)
Strychnos nux-vomica (ncbitaxon:28545) seed (BTO:0001226) PubMed (7912074)
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)
novacine (CHEBI:132669) has role plant metabolite (CHEBI:76924)
novacine (CHEBI:132669) is a aromatic ether (CHEBI:35618)
novacine (CHEBI:132669) is a cyclic ketone (CHEBI:3992)
novacine (CHEBI:132669) is a monoterpenoid indole alkaloid (CHEBI:65323)
novacine (CHEBI:132669) is a organic heterohexacyclic compound (CHEBI:51914)
novacine (CHEBI:132669) is a tertiary amino compound (CHEBI:50996)
novacine (CHEBI:132669) is a δ-lactam (CHEBI:77727)
IUPAC Name 
(4aR,6aS,12aS,12bR,12cS)-8,9-dimethoxy-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
2,3-dimethoxy-19-methyl-16,19-seco-strychnidine-10,16-dioneChEBI
Registry NumbersSources
Reaxys:65991Reaxys
Citations