Compound Identification
SMILES
CCCN(CCC)C(=O)C1=CC(C)=CC(=C1)C(=O)C[C@@H](CC1=CC(F)=CC(F)=C1)[C@H](O)[C@@H]1CCCN(C1)C(=O)C1=CN=CC=C1
InChIKey
InChIKey=JXDSYMOLWFRUIW-DBLDZIMNSA-N
Formula
C36H43F2N3O4
Mass
619.754
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
Alkyl-phenylketones N,N-dialkyl-m-toluamides Butyrophenones Pyridinecarboxylic acids and derivatives N-acylpiperidines Benzamides Aryl alkyl ketones Benzoyl derivatives Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary alcohols Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Norlignan skeleton - Alkyl-phenylketone - N,n-dialkyl-m-toluamide - Butyrophenone - N-acyl-piperidine - Benzamide - Phenylketone - M-toluamide - Toluamide - Pyridine carboxylic acid or derivatives - Benzoic acid or derivatives - Aryl ketone - Aryl alkyl ketone - Benzoyl - Toluene - Fluorobenzene - Halobenzene - Benzenoid - Pyridine - Monocyclic benzene moiety - Piperidine - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - Secondary alcohol - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Alcohol - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organofluoride - 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