Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C[C@@H](CO)[C@@H](CC2=CC(O)=C(O)C=C2)C(=O)NCC2=CC=CC=C2)C=C1

InChIKey

InChIKey=JKHKFUYVNGJZKK-FCHUYYIVSA-N

Formula

C27H31NO6

Mass

465.546

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Dibenzylbutane lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzylbutane lignans

Alternative Parents

Dimethoxybenzenes Phenoxy compounds Catechols Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Secondary carboxylic acid amides Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dibenzylbutane lignan skeleton - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Catechol - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Fatty acyl - Monocyclic benzene moiety - N-acyl-amine - Fatty amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Organic oxygen compound - Carbonyl group - Primary alcohol - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound

Description

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

External Descriptors

Not available

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