Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=C(C=C1)C1C(CBr)C2=CC=CC=C2OC1=O

InChIKey

InChIKey=NVYYPGLDYXIRFN-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

4'-O-methylated isoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2p-methoxyisoflavonoid-skeleton - 4p-methoxyisoflavonoid - 3-arylcoumarin flavonoid - Isoflavan - 3,4-dihydrocoumarin - Benzopyran - Chromane - M-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organobromide - Organooxygen compound - Organic oxide - Alkyl halide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Alkyl bromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.

External Descriptors

Not available

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