Compound Identification
SMILES
CCCC1=C(OCCCOC2=CC=CC(=C2)C2SC(=O)NC2=O)C=CC(OC2=CC=C(CC(C)C)C=C2)=C1
InChIKey
InChIKey=QZUYYCLWMJYSQX-UHFFFAOYSA-N
Formula
C31H35NO5S
Mass
533.68
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
Diphenylethers Diarylethers Phenylpropanes Phenoxy compounds Phenol ethers Thiazolidinediones Alkyl aryl ethers Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Oxyneolignan skeleton - Diphenylether - Diaryl ether - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - 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