Structure Information
Structure

Compound Identification

SMILES

CCOc1ccc(cc1N(C)C)C(=O)C(\Cl)=C\c1cc2OCOc2c(OC)c1

InChIKey

InChIKey=PKPZHVAMICWKPR-NVNXTCNLSA-N

Formula

C21H22ClNO5

Mass

403.86

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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 heteropolycyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Benzodioxole - Aminophenyl ether - Tertiary aliphatic/aromatic amine - Phenol ether - Aryl ketone - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Anisole - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Enone - Alpha-haloketone - Alpha-chloroketone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Tertiary amine - Acetal - Oxacycle - Chloroalkene - Haloalkene - Ether - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic 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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