Compound Identification
SMILES
OC(=O)C(C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1Cl)C1=CC=CC=C1
InChIKey
InChIKey=ZYQZYUXIOLORDO-UHFFFAOYSA-N
Formula
C23H19ClO3
Mass
378.85
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
Retro-dihydrochalcones Stilbenes Alkyl-phenylketones Phenylpropanoic acids Butyrophenones Aryl alkyl ketones Medium-chain fatty acids Benzoyl derivatives Halogenated fatty acids Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Retro-dihydrochalcone - Linear 1,3-diarylpropanoid - Stilbene - Alkyl-phenylketone - Butyrophenone - 3-phenylpropanoic-acid - Phenylketone - Aryl alkyl ketone - Aryl ketone - Medium-chain fatty acid - Benzoyl - Halogenated fatty acid - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Fatty acid - Fatty acyl - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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