Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=CC=C1NC(=O)C(=C\C1=CC(=C(O)C=C1)[N+]([O-])=O)\C#N

InChIKey

InChIKey=QXVAPXNXICPKQD-YRNVUSSQSA-N

Formula

C17H11N3O6

Mass

353.29

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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 - Nitrophenol - Nitrobenzene - Anilide - Benzoic acid or derivatives - Benzoic acid - N-arylamide - Nitroaromatic compound - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Nitrile - Carbonitrile - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Carbonyl group - Organic oxide - Organonitrogen compound - Cyanide - Organooxygen 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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