Compound Identification
SMILES
OC(=O)C(C(C(C(O)=O)[N+]([O-])=O)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=UGXCBKNKTSKIBX-UHFFFAOYSA-N
Formula
C18H14N2O9
Mass
402.315
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 Phenylpropanoic acids Phenylbutylamines Butyrophenones Alpha amino acids and derivatives Medium-chain keto acids and derivatives Nitrobenzenes Nitro fatty acids Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Beta-keto acids and derivatives Branched fatty acids Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Beta-hydroxy ketones Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Retro-dihydrochalcone - Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Medium-chain keto acid - Phenylketone - Nitro fatty acid - Nitrobenzene - Benzoyl - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - Beta-keto acid - Branched fatty acid - Dicarboxylic acid or derivatives - Keto acid - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Fatty acyl - Benzenoid - Beta-hydroxy ketone - Ketone - Organic nitro compound - C-nitro compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Organic nitrogen compound - Organic salt - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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