Structure Information
Structure

Compound Identification

SMILES

CC(C(CCC1=CC=CC=C1)C1=CC=CC(\C=C\C2=CC=CC=C2)=C1)N(CC(O)=O)C(=O)C1COC(O1)(C(O)=O)C(O)=O

InChIKey

InChIKey=FKIWBHPHTDKRFR-FOCLMDBBSA-N

Formula

C33H33NO9

Mass

587.625

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Not available

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Lignans, neolignans and related compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Norlignan skeleton - Linear 1,3-diarylpropanoid - Stilbene - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Phenylbutylamine - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Phenylpropane - Styrene - Ketal - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Tertiary carboxylic acid amide - Carboxamide group - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.

External Descriptors

Not available

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