Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)[C@@H](O)C(COC(=O)CC(C)C)OC1=C(O)C=C(\C=C\COC(=O)CC(C)C)C=C1OC

InChIKey

InChIKey=JAKILEJJQHPQPS-ZDJHGUQLSA-N

Formula

C31H42O11

Mass

590.666

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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 homomonocyclic compounds

Substituents

Neolignan skeleton - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Carboxylic acid ester - Secondary alcohol - Ether - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Aromatic alcohol - Aromatic homomonocyclic 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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