Compound Identification
SMILES
CC(=O)C12C3C(C(C4=CC=CC=C14)C1=CC=CC=C21)C(=O)N(C3=O)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=TXIYWLPFZMIPQM-UHFFFAOYSA-N
Formula
C27H18N2O3
Mass
418.452
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Aryltetralin lignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Aryltetralin lignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Aryltetralin lignans
Alternative Parents
Anthracenes Phenylpyrrolidines Tetralins Isoindolones Benzonitriles Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Dicarboximides Lactams Ketones Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-aryltetralin lignan - Anthracene - 1-phenylpyrrolidine - Isoindolone - Tetralin - Isoindoline - Isoindole or derivatives - Benzonitrile - Benzenoid - Monocyclic benzene moiety - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Pyrrole - Lactam - Ketone - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton.
External Descriptors
Not available