Compound Identification
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=C(O)C=C1)C(\O)=C(/C#N)C1=C(F)C(F)=C(F)C(F)=C1F
InChIKey
InChIKey=LCEIXSJAVRCMAW-NDENLUEZSA-N
Formula
C22H19F5N2O4
Mass
470.396
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
Amphetamines and derivatives Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Carbamate esters Organic carbonic acids and derivatives Nitriles Enols Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Phenol - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Enol - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organohalogen 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