Compound Identification
SMILES
OCC(O)C(O)C(O)C(O)(C(=O)C(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=MRTAVQRFENDIAN-UHFFFAOYSA-N
Formula
C20H20O14
Mass
484.366
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
Alkyl-phenylketones Butyrophenones Pyrogallols and derivatives Fatty alcohols Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acyloins Alpha-diketones Beta-hydroxy ketones Monosaccharides Alpha-hydroxy ketones Tertiary alcohols Secondary alcohols Polyols Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Alkyl-phenylketone - Butyrophenone - Benzenetriol - Fatty alcohol - Phenylketone - Pyrogallol derivative - Benzoyl - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Benzenoid - Alpha-diketone - Monosaccharide - Monocyclic benzene moiety - Acyloin - Beta-hydroxy ketone - Tertiary alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Polyol - Primary alcohol - Alcohol - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen 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