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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16380 - vindoline
Main
ChEBI Ontology
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Models
ChEBI Name
vindoline
ChEBI ID
CHEBI:16380
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:27290, CHEBI:9988, CHEBI:15309
Supplier Information
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Formulae
C25H32N2O6
C25H32N2O6
Net Charge
0
Average Mass
456.532
Monoisotopic Mass
456.22604
InChI
InChI=1S/C25H32N2O6/c1-
6-
23-
10-
7-
12-
27-
13-
11-
24(19(23)
27)
17-
9-
8-
16(31-
4)
14-
18(17)
26(3)
20(24)
25(30,22(29)
32-
5)
21(23)
33-
15(2)
28/h7-
10,14,19-
21,30H,6,11-
13H2,1-
5H3/t19-
,20+,21+,23+,24+,25-
/m0/s1
InChIKey
CXBGOBGJHGGWIE-ACSXSLCXSA-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)
OC(=O)
C)
(C(=O)
OC)
O)
[H]
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
vindoline (
CHEBI:16380
)
is a
acetate ester (
CHEBI:47622
)
vindoline (
CHEBI:16380
)
is a
alkaloid ester (
CHEBI:38481
)
vindoline (
CHEBI:16380
)
is a
methyl ester (
CHEBI:25248
)
vindoline (
CHEBI:16380
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
vindoline (
CHEBI:16380
)
is a
tertiary alcohol (
CHEBI:26878
)
vindoline (
CHEBI:16380
)
is a
tertiary amino compound (
CHEBI:50996
)
vindoline (
CHEBI:16380
)
is a
vinca alkaloid (
CHEBI:27288
)
vindoline (
CHEBI:16380
)
is conjugate base of
vindolinium(1+) (
CHEBI:57753
)
Incoming
11-
O
-demethyl-17-
O
-deacetylvindoline (
CHEBI:16147
)
has functional parent
vindoline (
CHEBI:16380
)
17-
O
-deacetylvindoline (
CHEBI:18362
)
has functional parent
vindoline (
CHEBI:16380
)
deacetoxyvindoline (
CHEBI:16957
)
has functional parent
vindoline (
CHEBI:16380
)
vindolinium(1+) (
CHEBI:57753
)
is conjugate acid of
vindoline (
CHEBI:16380
)
IUPAC Name
methyl 4β-
acetyloxy-
3β-
hydroxy-
16-
methoxy-
1-
methyl-
6,7-
didehydro-
2β,5α,12β,19α-
aspidospermidine-
3α-
carboxylate
Synonym
Source
Vindoline
KEGG COMPOUND
Manual Xrefs
Databases
C00001784
KNApSAcK
C00024613
KNApSAcK
C01626
KEGG COMPOUND
View more database links
Registry Number
Type
Source
2182-14-1
CAS Registry Number
KEGG COMPOUND
Last Modified
21 July 2017