Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC2=C(C)C=C(C)C=C2C)C=CC(C=C(C#N)C(=O)C2=CC=CC=C2)=C1

InChIKey

InChIKey=HIWOPZHNENNHKE-UHFFFAOYSA-N

Formula

C28H27NO3

Mass

425.528

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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 - Phenol ether - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Nitrile - Carbonitrile - Ether - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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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