Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(C[NH+]1CCCC(C)C1)=C([O-])C=C2)C1=CC=C(OC)C=C1

InChIKey

InChIKey=QQTWWOQRDDRKSV-UHFFFAOYSA-N

Formula

C26H29NO6

Mass

451.519

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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 - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Phenoxide - Pyranone - Monocyclic benzene moiety - Piperidine - Pyran - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Amine - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen 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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