Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(Cl)=CC(\C=C\C(=O)C2=CC(Br)=CC=C2)=C1

InChIKey

InChIKey=DUOSOMBTIYZDGH-VOTSOKGWSA-N

Formula

C17H14BrClO3

Mass

381.65

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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 - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Chlorobenzene - Aryl bromide - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Ether - Organohalogen compound - Organobromide - Organic oxygen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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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