Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)[C@@H]1OC2=C(C[C@H]1OC(=O)N[C@H]1CCCC3=CC=CC=C13)C=C(Br)C=C2

InChIKey

InChIKey=IXVOSZOEBZADAK-DMDYGQEQSA-N

Formula

C27H26BrNO4

Mass

508.412

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