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> Main
CHEBI:70515 - 20(S)-tubotaiwine
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ChEBI Ontology
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ChEBI Name
20(S)-tubotaiwine
ChEBI ID
CHEBI:70515
Definition
A natural product found in
Alstonia spatulata
.
Stars
This entity has been manually annotated by a third party.
Supplier Information
ZINC000096086436
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Formula
C20H24N2O2
Net Charge
0
Average Mass
324.41680
Monoisotopic Mass
324.18378
InChI
InChI=1S/C20H24N2O2/c1-
3-
12-
13-
8-
10-
22-
11-
9-
20(18(12)
22)
14-
6-
4-
5-
7-
15(14)
21-
17(20)
16(13)
19(23)
24-
2/h4-
7,12-
13,18,21H,3,8-
11H2,1-
2H3/t12-
,13-
,18+,20+/m0/s1
InChIKey
RLAKWLFUMAABBE-STJTYLQHSA-N
SMILES
[H][C@@]12CCN3CC[C@@]4(C(Nc5ccccc45)=C1C(=O)OC)[C@@]3([H])[C@H]2CC
Metabolite of Species
Details
Alstonia
sp.
tulata
(IPNI:76595-1)
Found in stem
(BTO:0001300)
. Previous component: stem bark; Extraction of stembark with concentrated EtOH with dilute acids 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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
20(S)-tubotaiwine (
CHEBI:70515
)
has role
metabolite (
CHEBI:25212
)
20(S)-tubotaiwine (
CHEBI:70515
)
is a
alkaloid (
CHEBI:22315
)
Synonyms
Sources
Condyfolan-16-carboxylic acid, 2,16-didehydro-, methylester
ChEBI
Dihydrocondylocarpine
ChEBI
Registry Number
Type
Source
6711-69-9
CAS Registry Number
ChemIDplus
Citation
Type
Source
21043460
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:alkaloid(CHEBI:22315); ISA:carbazoles(CHEBI:48513); ISA:indoles(CHEBI:24828); ISA:indolizines(CHEBI:38485); ISA:aralkylamine(CHEBI:18000); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:piperidines(CHEBI:26151); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enamine(CHEBI:47989); ISA:enoate ester(CHEBI:51702); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);