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

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ChEBI Name 2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid
ChEBI ID CHEBI:92320
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H17NO5
Net Charge 0
Average Mass 327.332
Monoisotopic Mass 327.11067
InChI InChI=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)
InChIKey NZHGWWWHIYHZNX-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-2388 LINCS
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Last Modified
07 March 2018