Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C1=CC(=CC=C1)C1=CN=C(C=N1)C1=CC=CC(=C1)C1=CC2=C(OC1=O)C=C(C=C2)N(CC)CC

InChIKey

InChIKey=KUHDNPPJUCONCQ-UHFFFAOYSA-N

Formula

C42H38N4O4

Mass

662.79

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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 - 1-benzopyran - Dialkylarylamine - Pyranone - Monocyclic benzene moiety - Pyran - Pyrazine - Benzenoid - Heteroaromatic compound - Lactone - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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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