Compound Identification
SMILES
CC(C)C1=CC(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(C=C1)C(=O)NC(C)(C)C
InChIKey
InChIKey=OVRTZSKXOUPBLN-XFCANUNOSA-N
Formula
C38H45N5O5
Mass
651.808
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 Aromatic monoterpenoids Bicyclic monoterpenoids Pyridinecarboxylic acids and derivatives Benzamides Phenylpropanes Cumenes 2-heteroaryl carboxamides Benzoyl derivatives N-acyl amines Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen 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 - Bicyclic monoterpenoid - Monoterpenoid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Quinoline - Aromatic monoterpenoid - P-cymene - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - Phenylpropane - Pyridine carboxylic acid or derivatives - Cumene - Benzoyl - 2-heteroaryl carboxamide - Monocyclic benzene moiety - Benzenoid - N-acyl-amine - Pyridine - Fatty acyl - Fatty amide - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - 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