Structure Information
Structure

Compound Identification

SMILES

O.CC1=CC=C(C=C1)C(=O)C(O)(C(O)=O)C(O)(C(O)=O)C(=O)C1=CC=C(C)C=C1.CCN(CC1CCN(CC1)C(=O)C1CCCCC1)C(C)CC1=CC=C(OC)C=C1

InChIKey

InChIKey=IGFGAJZPVOWWRF-UHFFFAOYSA-N

Formula

C45H60N2O11

Mass

804.978

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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

Not available

Substituents

Dibenzylbutane lignan skeleton - Alkyl-phenylketone - 3-phenylpropanoic-acid - Butyrophenone - Amphetamine or derivatives - Phenylpropane - N-acyl-piperidine - Phenylketone - Phenoxy compound - Phenol ether - Anisole - Gamma-keto acid - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aralkylamine - Toluene - Beta-keto acid - Acyloin - Alpha-hydroxy acid - Monocyclic benzene moiety - Beta-hydroxy ketone - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Keto acid - Monosaccharide - Piperidine - Tertiary alcohol - Alpha-hydroxy ketone - Tertiary carboxylic acid amide - Tertiary amine - 1,2-diol - Tertiary aliphatic amine - Ketone - Carboxamide group - Amino acid or derivatives - Ether - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Carbonyl group - Amine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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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