Structure Information
Structure

Compound Identification

SMILES

BrC1=CC2=C(O[C@H]([C@H](OC(=O)NCCOC3=CC=CC=C3)C2=O)C2=CC3=C(OCO3)C=C2)C=C1

InChIKey

InChIKey=VDVFZWMAAMGFJZ-BJKOFHAPSA-N

Formula

C25H20BrNO7

Mass

526.339

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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

Flavanonol - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Ketone - Oxacycle - Organoheterocyclic compound - Acetal - Ether - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aldehyde - 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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