Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)[C@H](N=[N+]=[N-])[C@@H](O)C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=AUHSLMLPCHHRDH-WMLDXEAASA-N
Formula
C17H14ClN3O4
Mass
359.77
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 Butyrophenones Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Acyloins Aryl chlorides Beta-hydroxy ketones Alpha-hydroxy ketones Azo imides Azo compounds Secondary alcohols Organic salts Organic zwitterions Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Alkyl-phenylketone - Butyrophenone - Phenylketone - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Aryl halide - Monocyclic benzene moiety - Beta-hydroxy ketone - Aryl chloride - Acyloin - Alpha-hydroxy ketone - Azo compound - Azo imide - Secondary alcohol - Ketone - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - 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