Compound Identification
SMILES
COC(=O)C(CC(=O)C1=CC=CC=C1)C(C1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=VIZRRZUGGLTFTO-UHFFFAOYSA-N
Formula
C18H17NO5
Mass
327.336
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
Alkyl-phenylketones Phenylbutylamines Butyrophenones Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Fatty acid esters Methyl esters C-nitro compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Phenylketone - Benzoyl - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Keto acid - Benzenoid - Methyl ester - Organic nitro compound - Carboxylic acid ester - Ketone - C-nitro compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - 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