Compound Identification
SMILES
CC1=CC(C(=O)NC(C)(C)C)=C(CC(=O)[C@@H](CC2=CC=CC=C2F)NC(=O)OC(C)(C)C)C=C1
InChIKey
InChIKey=LMPQOKCBGUUVAC-JOCHJYFZSA-N
Formula
C27H35FN2O4
Mass
470.585
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 m-Toluamides Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Carbamate esters Secondary carboxylic acid amides Ketones Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - M-toluamide - Toluamide - Benzoyl - Fluorobenzene - Toluene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Ketone - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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