Structure Information
Structure

Compound Identification

SMILES

[Cl-].NC(N)=[NH+]CC1=CC=C(C=C1)C1=CC=C(C[C@@H]([C@H](CC2=CC=CC=C2)C(O)=O)C(O)=O)C=C1

InChIKey

InChIKey=TWKYSXWZZYUQSW-SJEIDVEUSA-N

Formula

C26H28ClN3O4

Mass

481.98

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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

Biphenyls and derivatives Phenylpropanoic acids Dicarboxylic acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidamides Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dibenzylbutane lignan skeleton - Biphenyl - 3-phenylpropanoic-acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Guanidine - Carboxylic acid derivative - Carboxylic acid - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic zwitterion - Carbonyl group - Aromatic homomonocyclic 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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