Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=ILDNXCLVGBLHKP-UHFFFAOYSA-N

Formula

C18H17BrO3

Mass

361.235

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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 - Isoflav-3-ene skeleton - Benzopyran - 1-benzopyran - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organohalogen compound - Organobromide - Alkyl halide - Alkyl bromide - Organooxygen compound - Hydrocarbon derivative - 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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