Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=CC2=C(C=C1)C(C1=CC=C(OCCN3CCCC3)C=C1)=C(C1=CC=C(Cl)C=C1)C(C)(C)O2

InChIKey

InChIKey=WRAKWZLTRUXCIU-UHFFFAOYSA-N

Formula

C30H33Cl2NO3

Mass

526.5

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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 - Isoflav-3-ene skeleton - Neoflavene - Neoflavonoid skeleton - Precocene - Stilbene - 2,2-dimethyl-1-benzopyran - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organohalogen compound - Organochloride - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrochloride - Organooxygen compound - Hydrocarbon derivative - 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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