Structure Information
Structure

Compound Identification

SMILES

[Cl-].[Cl-].OCC[N+]12CC[N+](CCCC3=CC=C(C=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=JOQYPTXABKLCBX-OFNNRZCZSA-N

Formula

C35H44Cl2N2O5

Mass

643.65

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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 - Phenylpropylamine - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Benzenoid - Piperazine - Tetraalkylammonium salt - Quaternary ammonium salt - 1,2-aminoalcohol - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic chloride salt - Amine - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic salt - Organic zwitterion - Primary alcohol - 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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