Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(OCC(C3=CC=CC=C3)C2=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1

InChIKey

InChIKey=YOQGZMDDQJDOFF-UHFFFAOYSA-N

Formula

C22H18N4O6

Mass

434.408

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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 - Chromane - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Anisole - Phenol ether - Phenylhydrazine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Oxacycle - Organoheterocyclic compound - Ether - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - 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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