Compound Identification
SMILES
OC(=O)[C@@]12CN(C[C@@H]1[C@]1(CC[C@@H]2C2=CC=CC=C12)C1=CC=CC=C1)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
InChIKey
InChIKey=KDTDWMZTXOVVQL-JPGNECAASA-N
Formula
C36H31NO4
Mass
541.647
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
Naphthalenecarboxylic acids Fluorenes Tetralins Isoindolines Pyrrolidine carboxylic acids Benzene and substituted derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-aryltetralin lignan - Fluorene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Tetralin - Isoindoline - Isoindole or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Pyrrolidine - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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