Structure Information
Structure

Compound Identification

SMILES

[Cl-].[Cl-].[Cl-].OC(=O)[C@@H](CC1=CC=CC=C1)[C@H](CC1=CC=C(C=C1)C1=CC=C(C[N+]23CC[N+](CCCCC[N+]45CCN(CC4)CC5)(CC2)CC3)C=C1)C(O)=O

InChIKey

InChIKey=VUVVYUXILCQGFY-WHVOJHNISA-M

Formula

C42H57Cl3N4O4

Mass

788.29

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzylbutane lignan skeleton - Biphenyl - 3-phenylpropanoic-acid - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Amine - Organooxygen compound - Organic chloride salt - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Aromatic heteropolycyclic 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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