Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CNC(=O)O[C@H]1[C@@H](OC2=C(C=C(Br)C=C2)C1=O)C1=CC(OC)=CC=C1

InChIKey

InChIKey=WHDDJKNNQTWCNP-VQTJNVASSA-N

Formula

C21H20BrNO7

Mass

478.295

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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 - Flavanonol - Flavanone - Flavan - Alpha-amino acid ester - Chromone - Alpha-amino acid or derivatives - 1-benzopyran - Benzopyran - Chromane - Phenoxy compound - Anisole - Aryl ketone - Aryl alkyl ketone - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organobromide - Organooxygen compound - Organohalogen 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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