Structure Information
Structure

Compound Identification

SMILES

CC(OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C1CNCCN1

InChIKey

InChIKey=PAYJBGGCBBTRMT-UHFFFAOYSA-N

Formula

C21H22N2O4

Mass

366.417

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-2-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyran - Benzenoid - Heteroaromatic compound - Oxacycle - Ether - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

External Descriptors

Not available

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