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Structure Information
Structure

Compound Identification

SMILES

CN1[C@@H]2CC3CN(C(=O)C4=CC=CC=C4)C4=CC=CC(=C34)C2=CC(C)(CC=O)C1=O

InChIKey

InChIKey=YARYGQYMBLIBQV-VHCIKCAMSA-N

Formula

C25H24N2O3

Mass

400.478

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Ergoline and derivatives

Subclass

Clavines and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Clavines and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Clavine skeleton - 6,7-secoergoline - Benzoquinoline - Indolecarboxylic acid derivative - Quinoline - Tetralin - Benzamide - Benzoic acid or derivatives - Isoindole or derivatives - Indole or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha-hydrogen aldehyde - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as clavines and derivatives. These are hydroxy and dehydro derivatives of 6,8-dimethylergolenes and the corresponding ergolines.

External Descriptors

Not available

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