Compound Identification
SMILES
OC(=O)CC(CCC1=CC=CC=C1)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=QUYONEGHQIAZDL-UHFFFAOYSA-N
Formula
C17H17NO4
Mass
299.326
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 Phenylpropanoic acids Nitro fatty acids Nitrobenzenes Medium-chain fatty acids Nitroaromatic compounds Carboxylic acids Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Linear 1,3-diarylpropanoid - 3-phenylpropanoic-acid - Nitro fatty acid - Nitrobenzene - Nitroaromatic compound - Medium-chain fatty acid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty acid - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organic salt - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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