Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C(Br)=CC(\C=C(/C#N)C(=O)NC2=CC=CC=C2C(O)=O)=C1

InChIKey

InChIKey=GPNMKPDQTLDWLF-IZZDOVSWSA-N

Formula

C18H13BrN2O5

Mass

417.215

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Hydroxycinnamic acids

Direct Parent

Avenanthramides

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Avenanthramide - N-cinnamoylanthranilic acid - Acylaminobenzoic acid or derivatives - Cinnamic acid amide - Methoxyphenol - Benzoic acid - Benzoic acid or derivatives - Anilide - 2-halophenol - 2-bromophenol - Phenoxy compound - Benzoyl - Phenol ether - Anisole - N-arylamide - Methoxybenzene - Phenol - Bromobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Ether - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organobromide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as avenanthramides. These are a group of phenolic alkaloids consisting of conjugate of three phenylpropanoids (ferulic, caffeic, or p-coumaric acid) and anthranilic acid.

External Descriptors

Not available

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