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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
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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