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ChEBI
> Main
CHEBI:16957 - deacetoxyvindoline
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ChEBI Ontology
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ChEBI Name
deacetoxyvindoline
ChEBI ID
CHEBI:16957
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:4442, CHEBI:14098, CHEBI:14128, CHEBI:23563
Supplier Information
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Formula
C23H30N2O4
Net Charge
0
Average Mass
398.496
Monoisotopic Mass
398.22056
InChI
InChI=1S/C23H30N2O4/c1-
5-
21-
9-
6-
11-
25-
12-
10-
22(18(21)
25)
16-
8-
7-
15(28-
3)
13-
17(16)
24(2)
19(22)
23(27,14-
21)
20(26)
29-
4/h6-
9,13,18-
19,27H,5,10-
12,14H2,1-
4H3/t18-
,19+,21-
,22+,23+/m0/s1
InChIKey
WNKDGPXNFMMOEJ-RNJSZURPSA-N
SMILES
[C@@]123[C@@](N(C4=C1C=CC(=C4)OC)C)([C@](C[C@]5([C@@]2(N(CC=C5)CC3)[H])CC)(C(=O)OC)O)[H]
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
deacetoxyvindoline (
CHEBI:16957
)
has functional parent
vindoline (
CHEBI:16380
)
deacetoxyvindoline (
CHEBI:16957
)
is a
methyl ester (
CHEBI:25248
)
deacetoxyvindoline (
CHEBI:16957
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
deacetoxyvindoline (
CHEBI:16957
)
is a
tertiary alcohol (
CHEBI:26878
)
deacetoxyvindoline (
CHEBI:16957
)
is a
vinca alkaloid (
CHEBI:27288
)
deacetoxyvindoline (
CHEBI:16957
)
is conjugate base of
deacetoxyvindolinium(1+) (
CHEBI:57965
)
Incoming
deacetoxyvindolinium(1+) (
CHEBI:57965
)
is conjugate acid of
deacetoxyvindoline (
CHEBI:16957
)
IUPAC Name
methyl 3β-
hydroxy-
16-
methoxy-
1-
methyl-
6,7-
didehydro-
2β,5α,12β,19α-
aspidospermidine-
3α-
carboxylate
Synonyms
Sources
16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine
KEGG COMPOUND
Deacetoxyvindoline
KEGG COMPOUND
Desacetoxyvindoline
KEGG COMPOUND
Manual Xref
Database
C02673
KEGG COMPOUND
View more database links
Registry Number
Type
Source
21650527
Reaxys Registry Number
Reaxys
Last Modified
26 July 2017