Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC1=CC2=C(C=C1)C(C(C1=CC=CC=C1)C(C)(C)O2)C1=CC=C(OCC[NH+](C)C)C=C1

InChIKey

InChIKey=GVCYIHCJGMBMGJ-UHFFFAOYSA-N

Formula

C28H34ClNO3

Mass

468.03

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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

7-O-methylated isoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

7-methoxyisoflavonoid-skeleton - Isoflavan - Neoflavan - Neoflavonoid skeleton - Stilbene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Organoheterocyclic compound - Ether - Organic chloride salt - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C7 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.

External Descriptors

Not available

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