Compound Identification
SMILES
COC1=CC=CC=C1CC(C)C(N)C(O)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=CHVADKBFMLTSOL-UHFFFAOYSA-N
Formula
C19H22F3NO2
Mass
353.385
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
Trifluoromethylbenzenes Phenylpropanes Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Organofluorides Monoalkylamines Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Trifluoromethylbenzene - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Ether - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Aromatic alcohol - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - 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