Compound Identification
SMILES
COC(=O)OCC1=CC(NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]2[C@H](C3C4=CC=CC=C4C2C2=CC=CC=C32)C(=O)NCC23CC4CC(CC(C4)C2)C3)=CC(COC(=O)OC)=C1
InChIKey
InChIKey=PJYYZJVRLXRQNB-QMDDTBJCSA-N
Formula
C50H53N3O9
Mass
839.986
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
Phenylalanine and derivatives Anthracenes Naphthalenecarboxamides N-acyl-alpha amino acids and derivatives Alpha amino acid amides Tetralins Amphetamines and derivatives Benzyloxycarbonyls Anilides N-arylamides Fatty amides Carbonic acid diesters Secondary carboxylic acid amides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-aryltetralin lignan - Phenylalanine or derivatives - Anthracene - N-acyl-alpha amino acid or derivatives - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzyloxycarbonyl - Tetralin - Anilide - N-arylamide - Benzenoid - Fatty acyl - Fatty amide - Monocyclic benzene moiety - Carbonic acid diester - Carbonic acid derivative - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Aromatic homopolycyclic 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