Structure Information
Structure

Compound Identification

SMILES

CN1N=NN=C1S(=O)C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CC1=CC=CC=C1C(=O)NC(C)(C)C

InChIKey

InChIKey=LOWFRBZPNDCWOJ-BBLWWCEQSA-N

Formula

C27H37N7O6S2

Mass

619.76

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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 - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid amide - Organosulfonic acid amide - Azole - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tetrazole - Sulfonyl - Secondary alcohol - Sulfoxide - Secondary carboxylic acid amide - Carboxamide group - Sulfinyl compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Organosulfur compound - Carbonyl group - Organonitrogen compound - Organic oxide - Organic oxygen 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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