CHEBI:132669 - novacine

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ChEBI Name novacine
ChEBI ID CHEBI:132669
Definition A monoterpenoid indole alkaloid with formula C24H28N2O3, 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
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Formula C24H28N2O5
Net Charge 0
Average Mass 424.490
Monoisotopic Mass 424.19982
InChI InChI=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
InChIKey POLBLONFVZXVPI-SVFVWZOVSA-N
SMILES [C@@]123[C@@]4([C@]5([C@@](CC1=O)(C(CN(CC2)C)=CCO[C@]5(CC(N4C6=C3C=C(C(=C6)OC)OC)=O)[H])[H])[H])[H]
Metabolite of Species Details
Strychnos icaja (NCBI:txid1040889) See: PubMed
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 novacine (CHEBI:132669) has role plant metabolite (CHEBI:76924)
novacine (CHEBI:132669) is a δ-lactam (CHEBI:77727)
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)
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-dione ChEBI
Registry Number Type Source
65991 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10471592 PubMed citation Europe PMC
25594733 PubMed citation Europe PMC
7912074 PubMed citation Europe PMC
Last Modified
11 January 2017