Compound Identification
SMILES
CC1(C)CCC(C)(C)C2=C1C=CC(=C2)C(CC1=CC=C(Cl)C=C1)C(=O)OC1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=DFHRWDVPJYGZPR-UHFFFAOYSA-N
Formula
C30H31ClO4
Mass
491.02
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
Stilbenes Tetralins Phenol esters Benzoic acids Phenoxy compounds Benzoyl derivatives Chlorobenzenes Fatty acid esters Aryl chlorides Carboxylic acid esters Carboxylic acids Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Neolignan skeleton - Stilbene - Phenol ester - Tetralin - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Phenoxy compound - Chlorobenzene - Fatty acid ester - Halobenzene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Aryl halide - Aryl chloride - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organooxygen compound - Organic oxide - Organochloride - Aromatic homopolycyclic 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