Compound Identification
SMILES
COC(=O)[C@]12CNC[C@H]1[C@@H]1O[C@]2(C2=CC=CC=C12)C1=CC=CC=C1
InChIKey
InChIKey=WBYHYSDELGRISN-HNJRGHQBSA-N
Formula
C20H19NO3
Mass
321.376
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 Tetralins Isoindolines Isocoumarans Pyrrolidine carboxylic acids Aralkylamines Benzene and substituted derivatives Oxolanes Methyl esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-aryltetralin lignan - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Tetralin - Isoindoline - Isoindole or derivatives - Isocoumaran - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Oxolane - Pyrrolidine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Secondary amine - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Dialkyl ether - Secondary aliphatic amine - Ether - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic nitrogen 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