Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CC(C1=CC=CC=C1)C(Br)(C1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=QPBQZPGTRZGSKV-UHFFFAOYSA-N
Formula
C23H20BrNO4
Mass
454.32
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 Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Alkyl bromides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Retro-dihydrochalcone - Linear 1,3-diarylpropanoid - Stilbene - Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Phenylketone - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Alkyl bromide - Organohalogen compound - Organobromide - Alkyl halide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - 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