CHEBI:105696 - 2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid
ChEBI ID CHEBI:105696
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H15NO4
Net Charge 0
Average Mass 297.306
Monoisotopic Mass 297.10011
InChI InChI=1S/C17H15NO4/c1-22-13-9-6-12(7-10-13)8-11-16(19)18-15-5-3-2-4-14(15)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKey CKQMTXLABQTGQB-UHFFFAOYSA-N
SMILES COC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid (CHEBI:105696) has functional parent anthranilic acid (CHEBI:30754)
2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid (CHEBI:105696) is a amidobenzoic acid (CHEBI:48470)
2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid (CHEBI:105696) is a cinnamamides (CHEBI:23247)
2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid (CHEBI:105696) is a secondary carboxamide (CHEBI:140325)
Manual Xref Database
LSM-17058 LINCS
View more database links
Last Modified
07 March 2018