CHEBI:82641 - gepinacin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
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 Waiting for Citations Type Source
22724584 PubMed citation Europe PMC
Last Modified
06 August 2014