Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(OC)=C2C(OC(=O)C=C2C2=CC=C(C=C2)C2=CC=C(C=C2)C#N)=C1

InChIKey

InChIKey=NOHPWRBMWRDRIQ-UHFFFAOYSA-N

Formula

C25H19NO5

Mass

413.429

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Neoflavones

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-phenylcoumarin - Biphenylcarbonitrile - Biphenyl - Coumarin - Benzopyran - 1-benzopyran - Anisole - Benzonitrile - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Cyanide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.

External Descriptors

Not available

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