CHEBI:142834 - (+)-vincadifformine

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ChEBI Name (+)-vincadifformine
ChEBI ID CHEBI:142834
Definition An aspidosperma alkaloid that is the methyl ester of 2,3-didehydroaspidospermidine-3-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H26N2O2
Net Charge 0
Average Mass 338.444
Monoisotopic Mass 338.19943
InChI InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20-,21-/m1/s1
InChIKey GIGFIWJRTMBSRP-NJDAHSKKSA-N
SMILES C=1(C[C@@]2([C@]3(N(CCC2)CC[C@@]43C5=C(NC41)C=CC=C5)[H])CC)C(=O)OC
Metabolite of Species Details
Alstonia sp.tulata (IPNI:76595-1) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Biological Role(s): 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 (+)-vincadifformine (CHEBI:142834) is a Aspidosperma alkaloid (CHEBI:142772)
(+)-vincadifformine (CHEBI:142834) is conjugate base of (+)-vincadifformine(1+) (CHEBI:142830)
(+)-vincadifformine (CHEBI:142834) is enantiomer of (−)-vincadifformine (CHEBI:70507)
Incoming (+)-vincadifformine(1+) (CHEBI:142830) is conjugate acid of (+)-vincadifformine (CHEBI:142834)
(−)-vincadifformine (CHEBI:70507) is enantiomer of (+)-vincadifformine (CHEBI:142834)
IUPAC Name
methyl 2,3-didehydroaspidospermidine-3-carboxylate
Synonyms Sources
2,3-didehydroaspidospermidine-3-carboxylic acid methyl ester ChEBI
aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methyl ester ChEBI
methyl (5R,12S,19R)-2,3-didehydroaspidospermidine-3-carboxylate ChEBI
Last Modified
17 August 2023