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Structure Information
Structure

Compound Identification

SMILES

CC(CO)C[C@@H]1[C@@H](CC2=CN(C3=CC=CC1=C23)S(=O)(=O)C1=CC=C(C)C=C1)N(C)C(=O)OCC1=CC=CC=C1

InChIKey

InChIKey=CEILYFAHTZLYCI-PBJPIWIJSA-N

Formula

C31H34N2O5S

Mass

546.68

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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

Chanoclavine skeleton - Benzenesulfonamide - Benzyloxycarbonyl - 3-alkylindole - Tosyl compound - Benzenesulfonyl group - Indole - Indole or derivatives - Isoindole or derivatives - Toluene - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carbamic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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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