Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)[C@@H]1OC2=C(C=C(Br)C=C2)C(=O)[C@H]1OC(=O)NS(=O)(=O)C1=CC=C(F)C=C1

InChIKey

InChIKey=BRBPPXYXMQXZDA-FCHUYYIVSA-N

Formula

C23H17BrFNO7S

Mass

550.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

O-methylated flavonoids

Intermediate Tree Nodes

Not available

Direct Parent

3'-O-methylated flavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3p-methoxyflavonoid-skeleton - Flavanone - Flavanonol - Flavan - Chromone - Benzopyran - Chromane - Benzenesulfonamide - 1-benzopyran - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone.

External Descriptors

Not available

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