EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:92320 - 2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid

ChEBI IDCHEBI:92320
ChEBI Name2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC18H17NO5
Net Charge0
Average Mass327.336
Monoisotopic Mass327.11067
SMILESCOc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC
InChIInChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)
InChIKeyNZHGWWWHIYHZNX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid (CHEBI:92320) has functional parent anthranilic acid (CHEBI:30754)
2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid (CHEBI:92320) is a amidobenzoic acid (CHEBI:48470)
2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid (CHEBI:92320) is a cinnamamides (CHEBI:23247)
2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid (CHEBI:92320) is a secondary carboxamide (CHEBI:140325)
Manual XrefsDatabases
LSM-2388LINCS