Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1)C1CC2=CC(C)=CC(Br)=C2OC1=O

InChIKey

InChIKey=BCEWSDXCVMKKMW-UHFFFAOYSA-N

Formula

C18H17BrO4

Mass

377.234

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

O-methylated isoflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

3'-O-methylated isoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3p-methoxyisoflavonoid-skeleton - 3-arylcoumarin flavonoid - Isoflavan - 3,4-dihydrocoumarin - M-dimethoxybenzene - Dimethoxybenzene - Benzopyran - 1-benzopyran - Chromane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organobromide - Organooxygen compound - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C3' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.

External Descriptors

Not available

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