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Structure Information
Structure

Compound Identification

SMILES

CCC1(CCCC1)N(CCO)C(=O)C1=CC=CC=C1CCC(O)CC1=C(C=C(C)C=C1)C(=O)N(CCO)C(C)(C)C1=CC=CC=C1

InChIKey

InChIKey=MBNPLZRTGOAFGX-UHFFFAOYSA-N

Formula

C39H52N2O5

Mass

628.854

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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

Norlignan skeleton - N,n-dialkyl-m-toluamide - Benzamide - Benzoic acid or derivatives - Phenylpropane - M-toluamide - Toluamide - Benzoyl - Toluene - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Secondary alcohol - Carboxamide group - Alkanolamine - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Primary 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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