Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H](CC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(C)(C)[N+]([O-])=O
InChIKey
InChIKey=AQXGJHXEGGLSOA-QGZVFWFLSA-N
Formula
C19H20N2O6
Mass
372.377
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 Alkyl-phenylketones Phenylbutylamines Butyrophenones Phenylpropanes Nitrobenzenes Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Norlignan skeleton - Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Phenylbutylamine - Butyrophenone - Phenylpropane - Nitrobenzene - Phenylketone - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - Ketone - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - 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