Structure Information
Structure

Compound Identification

SMILES

CN(C)C(=O)COC1=CC=C(C=C1)C(=O)\C=C\C1=CC=C(OCC#N)C=C1

InChIKey

InChIKey=PLTJHOXAYHHNDD-LFYBBSHMSA-N

Formula

C21H20N2O4

Mass

364.401

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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 - Phenoxy compound - Benzoyl - Aryl ketone - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Tertiary carboxylic acid amide - Enone - Carboxamide group - Ketone - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organic oxygen compound - Cyanide - 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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