Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C1=CC2=CC3=C4N(CCC3)CCCC4=C2OC1=O

InChIKey

InChIKey=IYONFUXGAPRIFJ-UHFFFAOYSA-N

Formula

C21H18N2O4

Mass

362.385

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-3-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflav-3-enones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflav-3-enone skeleton - Coumarin - Benzopyran - Tetrahydroquinoline - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Aralkylamine - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - C-nitro compound - Organic nitro compound - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Oxacycle - Azacycle - Organic oxoazanium - Organic oxygen compound - Organic salt - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.

External Descriptors

Not available

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