Compound Identification
SMILES
COC(=O)CC(CCC1=CC=C(NS(C)(=O)=O)C=C1)C1=CC=CC(=C1)C(N)=N
InChIKey
InChIKey=JRVSMBQXSSFFJC-UHFFFAOYSA-N
Formula
C20H25N3O4S
Mass
403.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lignans, neolignans and related compounds
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
Linear 1,3-diarylpropanoids Sulfanilides Fatty acid methyl esters Organosulfonamides Organic sulfonamides Methyl esters Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboximidamides Carboxamidines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Linear 1,3-diarylpropanoid - Sulfanilide - Fatty acid ester - Fatty acid methyl ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid amide - Methyl ester - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Amidine - Carboxylic acid derivative - Carboxylic acid amidine - Carboximidamide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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