CHEBI:6510 - lochnericine

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ChEBI Name lochnericine
ChEBI ID CHEBI:6510
Definition An Aspidosperma alkaloid with molecular formula C21H24N2O3 found in the roots of Madagascar periwinkle (Catharanthus roseus, formerly known as Vinca rosea).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H24N2O3
Net Charge 0
Average Mass 352.434
Monoisotopic Mass 352.17869
InChI InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/t15-,17-,19-,20+,21-/m0/s1
InChIKey AUVZFRDLRJQTQF-KXEYLTKFSA-N
SMILES C=1(C[C@]2([C@@]3(N(C[C@H]4[C@@H]2O4)CC[C@]53C6=C(NC51)C=CC=C6)[H])CC)C(=O)OC
Roles Classification
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 )
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ChEBI Ontology
Outgoing lochnericine (CHEBI:6510) has role plant metabolite (CHEBI:76924)
lochnericine (CHEBI:6510) is a Aspidosperma alkaloid (CHEBI:142772)
lochnericine (CHEBI:6510) is a epoxide (CHEBI:32955)
lochnericine (CHEBI:6510) is a methyl ester (CHEBI:25248)
lochnericine (CHEBI:6510) is a monoterpenoid indole alkaloid (CHEBI:65323)
lochnericine (CHEBI:6510) is a organic heterohexacyclic compound (CHEBI:51914)
lochnericine (CHEBI:6510) is conjugate base of lochnericine(1+) (CHEBI:144374)
Incoming lochnericine(1+) (CHEBI:144374) is conjugate acid of lochnericine (CHEBI:6510)
IUPAC Name
methyl 5α,6α,7α,12β,19α-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylate
Synonyms Sources
(−)-lochnericine KNApSAcK
(5α,6α,7α,12β,19α)-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylic acid methyl ester ChemIDplus
Manual Xrefs Databases
C00024457 KNApSAcK
C11676 KEGG COMPOUND
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Registry Number Type Source
72058-36-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
13641069 PubMed citation Europe PMC
21144909 PubMed citation Europe PMC
23137274 PubMed citation Europe PMC
24942935 PubMed citation Europe PMC
28478314 PubMed citation Europe PMC
29105731 PubMed citation Europe PMC
29934299 PubMed citation Europe PMC
Last Modified
23 October 2019