Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)\C=C\C1=CC=CC=C1OC(=O)C1=CN=CC=C1

InChIKey

InChIKey=XNKOPTZGYYEWIM-FMIVXFBMSA-N

Formula

C21H14ClNO3

Mass

363.8

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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 heteromonocyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Phenol ester - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzoyl - Phenoxy compound - Styrene - Aryl ketone - Chlorobenzene - Halobenzene - Pyridine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic 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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