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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:82641 - gepinacin
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ChEBI Ontology
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ChEBI Name
gepinacin
ChEBI ID
CHEBI:82641
Definition
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 3-isobutoxyphenoxyacetic acid with the amino group of 4-methoxyaniline.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C19H23NO4
Net Charge
0
Average Mass
329.39020
Monoisotopic Mass
329.16271
InChI
InChI=1S/C19H23NO4/c1-
14(2)
12-
23-
17-
5-
4-
6-
18(11-
17)
24-
13-
19(21)
20-
15-
7-
9-
16(22-
3)
10-
8-
15/h4-
11,14H,12-
13H2,1-
3H3,(H,20,21)
InChIKey
JNQHDEHVHXLCAL-UHFFFAOYSA-N
SMILES
COc1ccc(NC(=O)COc2cccc(OCC(C)C)c2)cc1
Roles Classification
Biological Role
(s):
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
glycerophosphoinositol synthesis inhibitor
A pathway inhibitor that disrupts the synthesis of glycerophosphoinositol
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
gepinacin (
CHEBI:82641
)
has functional parent
phenylacetic acid (
CHEBI:30745
)
gepinacin (
CHEBI:82641
)
has role
antifungal agent (
CHEBI:35718
)
gepinacin (
CHEBI:82641
)
has role
glycerophosphoinositol synthesis inhibitor (
CHEBI:79386
)
gepinacin (
CHEBI:82641
)
is a
aromatic amide (
CHEBI:62733
)
gepinacin (
CHEBI:82641
)
is a
aromatic ether (
CHEBI:35618
)
gepinacin (
CHEBI:82641
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
IUPAC Name
2-(3-isobutoxyphenoxy)-
N
-(4-methoxyphenyl)acetamide
Manual Xref
Database
WO2013192517
Patent
View more database links
Citation
Type
Source
22724584
PubMed citation
Europe PMC
Last Modified
06 August 2014