Compound Identification
SMILES
CCOC(=O)C(=C/C1=CC(OC)=C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)=C1)\C(=O)CC1=CC(OC)=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=HYMQNKDSEPKVLT-QHDYCIAZSA-N
Formula
C42H40O8
Mass
672.774
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
Cinnamic acid esters Coumaric acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Beta-keto acids and derivatives Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Enoate esters Acryloyl compounds Enones Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Keto acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - 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