Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC(=O)N2CCOCC2)C=CC(C=CC(=O)C2=CC=C(Br)C=C2)=C1

InChIKey

InChIKey=UQMXNUGYUHCZOU-UHFFFAOYSA-N

Formula

C21H20BrNO5

Mass

446.297

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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 - Morpholine-4-carboxylic acid or derivatives - Morpholine-4-carboxylic acid - Phenoxy compound - Phenol ether - Styrene - Anisole - Aryl ketone - Methoxybenzene - Benzoyl - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Oxazinane - Aryl bromide - Morpholine - Monocyclic benzene moiety - Aryl halide - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Carbamic acid ester - Ketone - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - 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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