Structure Information
Structure

Compound Identification

SMILES

O=C1C=CC(=O)C2C1C1C3=CC=CC=C3C2(C#N)C2=CC=CC=C12

InChIKey

InChIKey=HVRNKQXFIMYLJN-UHFFFAOYSA-N

Formula

C21H13NO2

Mass

311.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Aryltetralin lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Aryltetralin lignans

Alternative Parents

Anthraquinones Tetralins Cyclohexenones Nitriles Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

1-aryltetralin lignan - Anthraquinone - 1,4-anthraquinone - Anthracene - Tetralin - Cyclohexenone - Benzenoid - Ketone - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton.

External Descriptors

Not available

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