Structure Information
Structure

Compound Identification

SMILES

NC(=O)C[N+]12CC[N+](CC3=CC(=CC(C[N+]45CC[N+](CC(N)=O)(CC4)CC5)=C3)C3=CC=C(C[C@@H]([C@H](CC4=CC=CC=C4)C(O)=O)C(O)=O)C=C3)(CC1)CC2

InChIKey

InChIKey=SBRPRONBKCNICR-GZRXZMDTSA-R

Formula

C42H56N6O6

Mass

740.944

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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 - Alpha-amino acid amide - Biphenyl - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - N-piperazineacetamide - Phenylmethylamine - Benzylamine - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Dicarboxylic acid or derivatives - Piperazine - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxamide group - Primary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organonitrogen 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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