Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1C(OC(C#N)(C1C(=O)OC)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=GEHPXHQUBUBGHP-UHFFFAOYSA-N

Formula

C21H19NO5

Mass

365.385

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Furanoid lignans

Subclass

Tetrahydrofuran lignans

Intermediate Tree Nodes

Not available

Direct Parent

7,7'-epoxylignans

Alternative Parents

Dibenzylbutane lignans Dicarboxylic acids and derivatives Benzene and substituted derivatives Oxolanes Methyl esters Oxacyclic compounds Nitriles Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

7,7p-epoxylignan - Dibenzylbutane lignan skeleton - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Oxolane - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton.

External Descriptors

Not available

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