Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.Cl.Cl.NCCCNCCC1=C(CCNCCCN)C=C2C=C(C[C@@H]([C@H](CC3=CC=CC=C3)C(O)=O)C(O)=O)C=CC2=C1

InChIKey

InChIKey=BMAYUTSDLQHVGM-FTKQXCDWSA-N

Formula

C32H48Cl4N4O4

Mass

694.56

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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

Phenylpropanoic acids Naphthalenes Phenethylamines Aralkylamines Dicarboxylic acids and derivatives Amino acids Dialkylamines Carboxylic acids Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Dibenzylbutane lignan skeleton - 3-phenylpropanoic-acid - Naphthalene - Phenethylamine - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Aromatic homopolycyclic 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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