Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC(O)=O)C=CC(=C1)C(=O)C=CC1=CC(Br)=CC=C1

InChIKey

InChIKey=IYFMAUXYHFAIRH-UHFFFAOYSA-N

Formula

C18H15BrO5

Mass

391.217

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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 - Phenoxyacetate - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl ketone - Styrene - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organohalogen compound - Organic oxygen compound - Organobromide - Hydrocarbon derivative - Carbonyl group - Organooxygen 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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