Compound Identification
SMILES
COC(=O)\C=C(\S\C(C(=O)C1=CC=CC=C1)=C(\N(C)C)C(=O)C1=CC=CC=C1)C(=O)OC
InChIKey
InChIKey=TUKJCLJKJUKBDW-QWQWMLFISA-N
Formula
C24H23NO6S
Mass
453.51
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
Aryl ketones Benzoyl derivatives Fatty acid esters Vinylogous thioesters Alpha-branched alpha,beta-unsaturated ketones Dicarboxylic acids and derivatives Acryloyl compounds Alpha-amino ketones Vinylogous amides Enoate esters Enones Methyl esters Amino acids and derivatives Trialkylamines Thioenol ethers Sulfenyl compounds Enamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Benzoyl - Aryl ketone - Fatty acid ester - Monocyclic benzene moiety - Vinylogous thioester - Fatty acyl - Dicarboxylic acid or derivatives - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Vinylogous amide - Enone - Alpha-aminoketone - Acryloyl-group - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Thioenolether - Ketone - Tertiary amine - Enamine - Sulfenyl compound - Carboxylic acid derivative - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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