Structure Information
Structure

Compound Identification

SMILES

C[N+](C)(CCC[NH2+]CCC[NH3+])CC1=CC=C(C=C1)C1=CC=C(CC(C(CC2=CC=CC=C2)C(O)=O)C(O)=O)C=C1

InChIKey

InChIKey=ULGMHGFIVNEPPS-UHFFFAOYSA-Q

Formula

C33H46N3O4

Mass

548.746

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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 Phenylmethylamines Benzylamines Aralkylamines Dicarboxylic acids and derivatives Tetraalkylammonium salts Amino acids Carboxylic acids Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organic cations

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dibenzylbutane lignan skeleton - Biphenyl - 3-phenylpropanoic-acid - Benzylamine - Phenylmethylamine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Quaternary ammonium salt - Tetraalkylammonium salt - Amino acid - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Primary aliphatic amine - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Primary amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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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