Compound Identification
SMILES
[O-][N+](=O)[C@](Br)([C@@H](CC(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=MMRUVTNJHKZMIH-UNMCSNQZSA-N
Formula
C22H18BrNO3
Mass
424.294
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 Phenylbutylamines Butyrophenones Aryl alkyl ketones Benzoyl derivatives C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Alkyl bromides Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Retro-dihydrochalcone - Linear 1,3-diarylpropanoid - Stilbene - Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - Ketone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Alkyl halide - Organic salt - Organonitrogen compound - Organobromide - Organooxygen compound - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl bromide - 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