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ChEBI
> Main
CHEBI:66088 - isatinone B
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ChEBI Name
isatinone B
ChEBI ID
CHEBI:66088
Definition
An indole alkaloid isolated from
Isatis costata
and exhibits antifungal activity.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
No supplier information found for this compound.
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Formula
C31H33NO4
Net Charge
0
Average Mass
483.59800
Monoisotopic Mass
483.24096
InChI
InChI=1S/C31H33NO4/c1-
3-
5-
11-
22(4-
2)
21-
35-
28(33)
20-
23-
16-
18-
25(19-
17-
23)
36-
30(24-
12-
7-
6-
8-
13-
24)
29-
26-
14-
9-
10-
15-
27(26)
32-
31(29)
34/h6-
10,12-
19,22H,3-
5,11,20-
21H2,1-
2H3,(H,32,34)
/b30-
29+
InChIKey
DGWRIHOXTOJRIO-QVIHXGFCSA-N
SMILES
CCCCC(CC)COC(=O)Cc1ccc(O\C(c2ccccc2)=C2\C(=O)Nc3ccccc23)cc1
Metabolite of Species
Details
Isatis costata
(IPNI:285765-1)
Found in whole plant
(BTO:0001461)
. See:
PubMed
Roles Classification
Biological Role
(s):
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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
isatinone B (
CHEBI:66088
)
has functional parent
2-ethylhexan-1-ol (
CHEBI:16011
)
isatinone B (
CHEBI:66088
)
has role
antifungal agent (
CHEBI:35718
)
isatinone B (
CHEBI:66088
)
has role
metabolite (
CHEBI:25212
)
isatinone B (
CHEBI:66088
)
is a
carboxylic ester (
CHEBI:33308
)
isatinone B (
CHEBI:66088
)
is a
enol ether (
CHEBI:47985
)
isatinone B (
CHEBI:66088
)
is a
indole alkaloid (
CHEBI:38958
)
isatinone B (
CHEBI:66088
)
is a
indolones (
CHEBI:24829
)
IUPAC Name
2-
ethylhexyl (4-
{[(
E
)-
(2-
oxo-
1,2-
dihydro-
3
H
-
indol-
3-
ylidene)(phenyl)methyl]oxy}phenyl)acetate
Registry Number
Type
Source
10732684
Reaxys Registry Number
Reaxys
Citation
Last Modified
28 February 2013