Structure Information
Structure

Compound Identification

SMILES

CC1=CC(Br)=C(C=C1)C1C(=O)OC2=CC=CC=C2C1=O

InChIKey

InChIKey=XWDZUKHPSUONMA-UHFFFAOYSA-N

Formula

C16H11BrO3

Mass

331.165

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavanones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavanone - 3-arylcoumarin flavonoid - 3,4-dihydrocoumarin - Chromone - Benzopyran - 1-benzopyran - Chromane - Aryl ketone - Aryl alkyl ketone - Toluene - Halobenzene - Bromobenzene - Benzenoid - Aryl bromide - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Aryl halide - Carboxylic acid ester - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavanones. These are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4.

External Descriptors

Not available

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