Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC(=O)OC(C)(C)C)C=CC(\C=C(/C#N)C(=O)C2=CC(C)=CC=C2)=C1

InChIKey

InChIKey=OSHDLUBZWGZKMR-LDADJPATSA-N

Formula

C23H23NO5

Mass

393.439

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