Compound Identification
SMILES
COC1=CC(\C=C\COC(=O)\C=C\C2=CC=C(O)C=C2)=CC(OC)=C1O[C@@H](COC(=O)\C=C\C1=CC=C(O)C=C1)[C@H](O)C1=CC(OC)=C(O)C=C1
InChIKey
InChIKey=IKHAPHPJWABCCU-QANYRGJISA-N
Formula
C39H38O12
Mass
698.721
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
Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives Dimethoxybenzenes Methoxyphenols Phenoxy compounds Styrenes Anisoles Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Dicarboxylic acids and derivatives Enoate esters Secondary alcohols Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Neolignan skeleton - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Styrene - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Alcohol - 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