Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)[C@@H]1OC2=C(C[C@H]1OC(=O)NCCC1=CC(OC)=C(OC)C=C1)C=C(Br)C=C2

InChIKey

InChIKey=SHFJXOSZOFOULS-FTJBHMTQSA-N

Formula

C27H28BrNO6

Mass

542.426

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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 - Flavan-3-ol - Flavan - Chromane - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Ether - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen 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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