Structure Information
Structure

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

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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 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

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