Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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