Compound Identification
SMILES
COC(=O)C(CC1=CC(OC)=CC(OC)=C1)C1=CC(OC2=CC=C(CC3SC(=O)NC3=O)C=C2)=CC=C1
InChIKey
InChIKey=SNHHFRNAKBGAMQ-UHFFFAOYSA-N
Formula
C28H27NO7S
Mass
521.58
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
Stilbenes Diphenylethers Diarylethers Dimethoxybenzenes Phenoxy compounds Anisoles Thiazolidinediones Alkyl aryl ethers Fatty acid esters Methyl esters Dicarboximides Thiocarbamic acid derivatives Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Oxyneolignan skeleton - Stilbene - Diphenylether - Diaryl ether - M-dimethoxybenzene - Dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Thiazolidinedione - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Methyl ester - Thiazolidine - Dicarboximide - Thiocarbamic acid derivative - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen 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