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Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C(OCC(=O)ON2C=CC=CC2=S)=C1)C1=COC2=C(C=CC3=C2C=C(O3)C(C)C)C1=O

InChIKey

InChIKey=KGRXCPBBFBNJDA-UHFFFAOYSA-N

Formula

C29H25NO8S

Mass

547.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

O-methylated isoflavonoids

Intermediate Tree Nodes

4'-O-methylated isoflavonoids

Direct Parent

4'-O-methylisoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3p-methoxyisoflavone - 4p-o-methylisoflavone - Isoflavone - Chromone - Phenoxyacetate - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Benzofuran - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Alkyl aryl ether - Dihydropyridine - Pyranone - Benzenoid - Hydropyridine - Monocyclic benzene moiety - Pyridine - Pyran - Thiolactam - Heteroaromatic compound - Furan - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone.

External Descriptors

Not available

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