Compound Identification
SMILES
[Na+].[Na+].[Na+].C[C@@H]([C@H](\C(C)=C(/[O-])C1=CC=CC=C1[O-])C1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1[O-]
InChIKey
InChIKey=MFXOUVCIHPXCPT-GNYLOYAFSA-K
Formula
C25H20ClNa3O4
Mass
488.85
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
Linear 1,3-diarylpropanoids Alkyl-phenylketones Butyrophenones Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Phenoxides Chlorobenzenes Aryl chlorides Vinylogous acids Organic metal halides Organochlorides Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Butyrophenone - Phenylketone - Phenylpropane - Benzoyl - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Phenoxide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous acid - Ketone - Organic alkali metal salt - Organic metal halide - Organic salt - Organic sodium salt - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic cation - 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