Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCC[C@H]1CN(CC1=CC=C(F)C=C1)C(CCC1=CC=C(F)C=C1)CC1=CC=C(F)C=C1
InChIKey
InChIKey=FLSFYOFMPLHQQX-DNKZHYAASA-N
Formula
C39H41F3N2O5
Mass
674.761
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 Phenylacetamides Phenylmethylamines Phenoxy compounds Anisoles N-acylpyrrolidines Methoxybenzenes Aryl ketones Benzylamines Benzoyl derivatives Alkyl aryl ethers Aralkylamines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Norlignan skeleton - Amphetamine or derivatives - Phenylacetamide - Phenoxy compound - Anisole - Benzoyl - Benzylamine - Methoxybenzene - Aryl ketone - N-acylpyrrolidine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Ketone - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Aromatic heteromonocyclic 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