Compound Identification
SMILES
CC(C)(C)NC(=O)C1=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=CC2=CC=CC=C12
InChIKey
InChIKey=JIOGFGHGVPFHGE-ZDCRTTOTSA-N
Formula
C39H41N5O5
Mass
659.787
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 Naphthalenecarboxamides N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Norlignan skeleton - Asparagine or derivatives - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxamide - Quinoline-2-carboxamide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Naphthalene - Quinoline - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Monocyclic benzene moiety - N-acyl-amine - Benzenoid - Pyridine - Fatty acyl - Fatty amide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen 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