Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(OC[C@H]([C@H]2C2=CC=C(OCCN3CCCC3)C=C2)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=VSOUJZJZNAEOMO-XCZPVHLTSA-N

Formula

C28H31NO3

Mass

429.56

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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

6-O-methylated isoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

6-methoxyisoflavonoid-skeleton - Isoflavan - Neoflavan - Neoflavonoid skeleton - Stilbene - Chromane - Benzopyran - 1-benzopyran - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 6-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C6 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.

External Descriptors

Not available

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