Structure Information
Structure

Compound Identification

SMILES

CC1=CC(Br)=C2OC(=O)C(CC2=C1)C1=CC=CC=C1

InChIKey

InChIKey=HSHOOKYYIPRYAT-UHFFFAOYSA-N

Formula

C16H13BrO2

Mass

317.182

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

3-arylcoumarin flavonoids

Intermediate Tree Nodes

Not available

Direct Parent

3-arylcoumarin flavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as 3-arylcoumarin flavonoids. These are isoflavonoids that bear a ketone group at the C2-position.

External Descriptors

Not available

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