Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=C(OC2=C(C=CC(O)=C2)C1=O)SCC1=CC=NC=C1

InChIKey

InChIKey=GMFZBGAQKAVZSP-UHFFFAOYSA-N

Formula

C22H17NO4S

Mass

391.44

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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

4p-o-methylisoflavone - Isoflavone - Hydroxyisoflavonoid - Chromone - 1-benzopyran - Benzopyran - Aryl thioether - Methoxybenzene - Phenoxy compound - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Pyranone - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Pyran - Vinylogous thioester - Benzenoid - Pyridine - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen 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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