Compound Identification
SMILES
CC(C(OC1=CC=C(CCCN(C)C(C)(C2=CC=C(Cl)C=C2)C2=CC=C(Cl)C=C2)C=C1)C(=O)C(F)(F)F)C1=CC=CC(=C1)C(=O)OC(C)(C)C
InChIKey
InChIKey=HVSQDEBZSNLACG-UHFFFAOYSA-N
Formula
C40H42Cl2F3NO4
Mass
728.67
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
Diphenylmethanes Phenylpropylamines Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl chlorides Alpha-haloketones Carboxylic acid esters Trialkylamines Amino acids and derivatives Organic oxides Organochlorides Organofluorides Organopnictogen compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Neolignan skeleton - Diphenylmethane - Benzoate ester - Phenylpropylamine - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Alpha-haloketone - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Ketone - Ether - Carboxylic acid derivative - Organohalogen compound - Amine - Organooxygen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Organochloride - 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