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> Main
CHEBI:18362 - 17-
O
-deacetylvindoline
Main
ChEBI Ontology
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ChEBI Name
17-
O
-deacetylvindoline
ChEBI ID
CHEBI:18362
ChEBI ASCII Name
17-O-deacetylvindoline
Definition
A vinca alkaloid that is vindoline in which the acetate ester group at position 17 has been hydrolysed to give the corresponding secondary alcohol.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11336, CHEBI:4339, CHEBI:14129, CHEBI:19167
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Read full article at Wikipedia
Formula
C23H30N2O5
Net Charge
0
Average Mass
414.496
Monoisotopic Mass
414.21547
InChI
InChI=1S/C23H30N2O5/c1-
5-
21-
9-
6-
11-
25-
12-
10-
22(17(21)
25)
15-
8-
7-
14(29-
3)
13-
16(15)
24(2)
18(22)
23(28,19(21)
26)
20(27)
30-
4/h6-
9,13,17-
19,26,28H,5,10-
12H2,1-
4H3/t17-
,18+,19+,21+,22+,23-
/m0/s1
InChIKey
ZDKMPOJNYNVYLA-PEGGBQQISA-N
SMILES
[C@@]123[C@@](N(C4=C1C=CC(=C4)OC)C)([C@]([C@@H]([C@]5([C@@]2(N(CC=C5)CC3)[H])CC)O)(C(=O)OC)O)[H]
Metabolite of Species
Details
Catharanthus roseus
(NCBI:txid4058)
See: Heterocycles, 1986, v24, 2415
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
17-
O
-deacetylvindoline (
CHEBI:18362
)
has functional parent
vindoline (
CHEBI:16380
)
17-
O
-deacetylvindoline (
CHEBI:18362
)
is a
methyl ester (
CHEBI:25248
)
17-
O
-deacetylvindoline (
CHEBI:18362
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
17-
O
-deacetylvindoline (
CHEBI:18362
)
is a
secondary alcohol (
CHEBI:35681
)
17-
O
-deacetylvindoline (
CHEBI:18362
)
is a
tertiary alcohol (
CHEBI:26878
)
17-
O
-deacetylvindoline (
CHEBI:18362
)
is a
vinca alkaloid (
CHEBI:27288
)
17-
O
-deacetylvindoline (
CHEBI:18362
)
is conjugate base of
17-
O
-deacetylvindolinium (
CHEBI:58461
)
Incoming
17-
O
-deacetylvindolinium (
CHEBI:58461
)
is conjugate acid of
17-
O
-deacetylvindoline (
CHEBI:18362
)
IUPAC Name
methyl 3β,4β-
dihydroxy-
16-
methoxy-
1-
methyl-
6,7-
didehydro-
2β,5α,12β,19α-
aspidospermidine-
3α-
carboxylate
Synonyms
Sources
17-O-deacetylvindoline
ChEBI
17-O-Deacetylvindoline
KEGG COMPOUND
Deacetylvindoline
KEGG COMPOUND
Desacetylvindoline
KEGG COMPOUND
methyl (2β,3β,4β,5α,12β,19α)-
3,4-
dihydroxy-
16-
methoxy-
1-
methyl-
6,7-
didehydroaspidospermidine-
3-
carboxylate
ChEBI
Manual Xrefs
Databases
C00024529
KNApSAcK
C01091
KEGG COMPOUND
Deacetylvindoline
Wikipedia
View more database links
Registry Number
Type
Source
63743
Reaxys Registry Number
Reaxys
Last Modified
26 July 2017