Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@@H](CC1=CC=CC=C1)[C@H](CC1=CC=C(C=C1)C1=CC=C(C[N+]23CC[N+](CC(=O)C4=CC(O)=C(O)C=C4)(CC2)CC3)C=C1)C(O)=O

InChIKey

InChIKey=GUHITMIXGMXUND-BKEGCEBRSA-P

Formula

C39H42N2O7

Mass

650.771

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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 - Alkyl-phenylketone - Biphenyl - 3-phenylpropanoic-acid - Phenylketone - Benzoyl - Benzylamine - Catechol - Phenylmethylamine - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Quaternary ammonium salt - Alpha-aminoketone - Tetraalkylammonium salt - Ketone - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic cation - 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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