Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=CC=C1C(=O)\C=C/C1=CC=C(C=C1)C#N

InChIKey

InChIKey=PDWNGPJFQGXYDB-KTKRTIGZSA-N

Formula

C17H11NO3

Mass

277.279

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Chalcones and dihydrochalcones

Intermediate Tree Nodes

Not available

Direct Parent

Retrochalcones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzonitrile - Benzoyl - Styrene - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Nitrile - Carbonitrile - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

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