Compound Identification
SMILES
CC1=CC(C(=O)NC(C)(C)C)=C(C[C@@H](O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(N)=O)NC(=O)C2=NC3=CC=CC=C3C=C2)C=C1
InChIKey
InChIKey=FKBIHVRNEQVVTP-RWSKJCERSA-N
Formula
C36H41N5O5
Mass
623.754
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
Asparagine and derivatives Quinoline carboxamides N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives m-Toluamides Pyridinecarboxylic acids and derivatives Benzamides 2-heteroaryl carboxamides Benzoyl derivatives N-acyl amines Heteroaromatic compounds Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Norlignan skeleton - Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Quinoline - M-toluamide - Pyridine carboxylic acid or derivatives - Toluamide - Benzamide - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Toluene - Fatty amide - N-acyl-amine - Pyridine - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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