Compound Identification
SMILES
CCCCCC1=CC=C(C=C1)C1=CC=C(CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC2CCCCC2)C=C1
InChIKey
InChIKey=WZEGNCAOTLFQFP-UHFFFAOYSA-N
Formula
C31H47O6PS
Mass
578.74
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
Biphenyls and derivatives Dialkyl alkylphosphonates Sulfonic acid esters Phosphonic acid esters Organosulfonic acid esters Sulfonyls Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Neolignan skeleton - Biphenyl - Dialkyl alkylphosphonate - Phosphonic acid diester - Monocyclic benzene moiety - Phosphonic acid ester - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organophosphonic acid derivative - Organic oxygen compound - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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