Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@@H](OC2=C(C=C(Br)C=C2)C1=O)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=OFXFLYMEGZWBEJ-CVEARBPZSA-N

Formula

C16H11BrO5

Mass

363.163

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Flavanones

Direct Parent

Flavanonols

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-hydroxyflavonoid - Flavanonol - Hydroxyflavonoid - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Secondary alcohol - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Acetal - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aldehyde - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavanonols. These are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively.

External Descriptors

Not available

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