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)N[C@H](C)C1CCCCC1

InChIKey

InChIKey=ZZZCZFPSPLNLFW-ZNZBMKLDSA-N

Formula

C25H28BrNO5

Mass

502.405

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