CHEBI:142530 - alstonine(1+)

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ChEBI Name alstonine(1+)
ChEBI ID CHEBI:142530
Definition An organic cation resulting from the protonation of the carbonilide moiety of alstonine. The major microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C21H21N2O3
Net Charge +1
Average Mass 349.404
Monoisotopic Mass 349.15467
InChI InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/p+1/t12-,15-,16-/m0/s1
InChIKey WYTGDNHDOZPMIW-RCBQFDQVSA-O
SMILES C=1C=CC2=C(C1)C=3C=C[N+]4=C(C3N2)C[C@]5([C@]([C@@H](OC=C5C(OC)=O)C)(C4)[H])[H]
Metabolite of Species Details
Rauvolfia obscura (IPNI:81602-1) Found in stem (BTO:0001300). See: Timmins, P. and Court, W.E. (1976) Stem alkaloids of Rauwolfia obscura. Phytochemistry, 15(5), 733-735.
ChEBI Ontology
Outgoing alstonine(1+) (CHEBI:142530) is a organic cation (CHEBI:25697)
alstonine(1+) (CHEBI:142530) is conjugate acid of alstonine (CHEBI:2612)
Incoming alstonine (CHEBI:2612) is conjugate base of alstonine(1+) (CHEBI:142530)
IUPAC Name
(19α,20α)-16-(methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium
Synonym Source
alstonine UniProt
Registry Numbers Types Sources
3917129 Reaxys Registry Number Reaxys
47485-83-6 CAS Registry Number ChemIDplus
Last Modified
14 November 2018