Compound Identification
SMILES
COC(=O)COC1=C(C)C=C(SCCCC2=CC3=C(C=C2)C2=C(C3)C=C(CCCSC3=CC(C)=C(OCC(O)=O)C=C3)C=C2)C=C1
InChIKey
InChIKey=RPIDMSDADUWLMH-UHFFFAOYSA-N
Formula
C38H40O6S2
Mass
656.85
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
Fluorenes Phenoxyacetic acid derivatives Thiophenol ethers Phenoxy compounds Phenol ethers Toluenes Alkylarylthioethers Alkyl aryl ethers Dicarboxylic acids and derivatives Methyl esters Sulfenyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Neolignan skeleton - Fluorene - Phenoxyacetate - Phenoxy compound - Aryl thioether - Thiophenol ether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Carboxylic acid ester - Sulfenyl compound - Ether - Carboxylic acid - Carboxylic acid derivative - Thioether - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homopolycyclic 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