Structure Information
Structure

Compound Identification

SMILES

COC1(C(C2=CC=C(OCCN=[N+]=[N-])C=C2)C2=CC=CC=C2OC1(C)C)C1=CC=CC=C1

InChIKey

InChIKey=PNSAJOWVELFDAD-UHFFFAOYSA-N

Formula

C26H27N3O3

Mass

429.52

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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

3-O-methylated isoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-methoxyisoflavonoid-skeleton - Neoflavonoid skeleton - Neoflavan - Isoflavan - Stilbene - 2,2-dimethyl-1-benzopyran - 1-benzopyran - Benzopyran - Chromane - Benzylether - Phenoxy compound - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Azo imide - Azo compound - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C3 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.

External Descriptors

Not available

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