Structure Information
Structure

Compound Identification

SMILES

[Cl-].[Cl-].NC(=O)C[N+]12CC[N+](CCCC3=CC=C(C[C@@H]([C@H](CC4=CC=CC=C4)C(O)=O)C(O)=O)C=C3)(CC1)CC2

InChIKey

InChIKey=VSPBXAARGBCYLF-BXIRZVIWSA-N

Formula

C29H39Cl2N3O5

Mass

580.55

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