Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)[C@@H]1C2C(COC2=O)[C@@H](NC2=CC=C(C=C2)C#N)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=DSVDQMLQXBKSBA-DRUBAWLRSA-N

Formula

C28H24N2O7

Mass

500.507

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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

9,9'-epoxylignans

Direct Parent

Dibenzylbutyrolactone lignans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzylbutyrolactone - Lignan lactone - 1-aryltetralin lignan - Tametraline - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Methoxyphenol - Benzodioxole - Phenoxy compound - Methoxybenzene - Phenylalkylamine - Phenol ether - Benzonitrile - Anisole - Secondary aliphatic/aromatic amine - Phenol - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - Gamma butyrolactone - Monocyclic benzene moiety - Tetrahydrofuran - Meta-dioxole - Lactone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Secondary amine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety.

External Descriptors

Not available

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