Compound Identification
SMILES
CCOC(C)OC1=C(OC)C=C(C=C1)C(O)C(OC1=C(OC)C=C(\C=C\C2OCCO2)C=C1)C(=O)OCC
InChIKey
InChIKey=KFFOOEUMEVOTDC-UKTHLTGXSA-N
Formula
C28H36O10
Mass
532.586
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
Phenoxyacetic acid derivatives Anisoles Methoxybenzenes Phenoxy compounds Styrenes Fatty acid esters Beta hydroxy acids and derivatives Alkyl aryl ethers Sugar acids and derivatives Monosaccharides 1,3-dioxolanes Carboxylic acid esters Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Neolignan skeleton - Phenoxyacetate - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Beta-hydroxy acid - Fatty acid ester - Sugar acid - Monocyclic benzene moiety - Hydroxy acid - Fatty acyl - Monosaccharide - Benzenoid - Meta-dioxolane - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Oxacycle - Ether - Carboxylic acid derivative - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Alcohol - Organic oxide - 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
CHEBI:86739 : phenylpropanoid