Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=CC=C1NC(=O)C(=C\C1=CC(Br)=C(O)C=C1)\C#N

InChIKey

InChIKey=RMHNKKCJKDDPDR-YRNVUSSQSA-N

Formula

C17H11BrN2O4

Mass

387.189

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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 - Coumaric acid or derivatives - Cinnamic acid amide - Benzoic acid or derivatives - Benzoic acid - Anilide - 2-halophenol - 2-bromophenol - N-arylamide - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Bromobenzene - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Nitrile - Carbonitrile - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen 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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