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CHEBI:4752 - (−)-echitovenine

ChEBI IDCHEBI:4752
ChEBI Name(−)-echitovenine
Stars
ASCII Name(-)-echitovenine
DefinitionAn Aspidosperma alkaloid that is (5α,12β,19α)-2,3-didehydroaspidospermidine which is substituted by a methoxycarbonyl group at position 3 and by an acetoxy group at position 20.
Last Modified9 March 2020
DownloadsMolfile
FormulaC23H28N2O4
Net Charge0
Average Mass396.487
Monoisotopic Mass396.20491
SMILES[H][C@]12N3CCC[C@@]1(C(C)OC(C)=O)CC(C(=O)OC)=C1Nc4ccccc4[C@@]12CC3
InChIInChI=1S/C23H28N2O4/c1-14(29-15(2)26)22-9-6-11-25-12-10-23(21(22)25)17-7-4-5-8-18(17)24-19(23)16(13-22)20(27)28-3/h4-5,7-8,14,21,24H,6,9-13H2,1-3H3/t14?,21-,22-,23-/m0/s1
InChIKeyUELNVPGLHDEZFM-PKQGEJGHSA-N
Species of MetaboliteComponentSourceComments
Catharanthus trichophyllus (ncbitaxon:319559) - DOI (/10.1016/S0099-9598(08)60005-X)
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)
(−)-echitovenine (CHEBI:4752) has role plant metabolite (CHEBI:76924)
(−)-echitovenine (CHEBI:4752) is a Aspidosperma alkaloid (CHEBI:142772)
(−)-echitovenine (CHEBI:4752) is a acetate ester (CHEBI:47622)
(−)-echitovenine (CHEBI:4752) is a enamine (CHEBI:47989)
(−)-echitovenine (CHEBI:4752) is a methyl ester (CHEBI:25248)
(−)-echitovenine (CHEBI:4752) is a organic heteropentacyclic compound (CHEBI:38164)
(−)-echitovenine (CHEBI:4752) is a tertiary amino compound (CHEBI:50996)
(−)-echitovenine (CHEBI:4752) is conjugate base of (−)-echitovenine(1+) (CHEBI:144384)
Incoming Relation(s)
(−)-echitovenine(1+) (CHEBI:144384) is conjugate acid of (−)-echitovenine (CHEBI:4752)
IUPAC Names 
methyl 20-acetoxy-2,3-didehydro-5α,12β,19α-aspidospermidine-3-carboxylate
methyl (5α,12β,19α)-20-acetoxy-2,3-didehydroaspidospermidine-3-carboxylate
methyl 20-(acetyloxy)-5α,12β,19α-2,3-didehydroaspidospermidine-3-carboxylate
Manual XrefsDatabases
C11784KEGG COMPOUND
Citations