Compound Identification
SMILES
COC(=O)CC(C#CC1=CC=C(Cl)C=C1)C1=CC(OC2CCCC2)=C(OC)C=C1
InChIKey
InChIKey=GHZDQMVQZICYPA-UHFFFAOYSA-N
Formula
C24H25ClO4
Mass
412.91
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
Linear 1,3-diarylpropanoids Phenoxy compounds Methoxybenzenes Anisoles Fatty acid methyl esters Chlorobenzenes Alkyl aryl ethers Aryl chlorides Methyl esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Linear 1,3-diarylpropanoid - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Fatty acid ester - Halobenzene - Alkyl aryl ether - Chlorobenzene - Fatty acid methyl ester - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Carbonyl group - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - 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