Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)S(=O)(=O)C1=C2C3=C(NC=C3C[C@H]3NC(=O)CO[C@]23C)C=C1

InChIKey

InChIKey=PVKUMMNRYJJOQX-GIGWZHCTSA-N

Formula

C29H36N2O4S

Mass

508.68

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Oxaergolines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Oxaergolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Oxaergoline skeleton - 3-alkylindole - Cumene - Indole - Indole or derivatives - Benzenesulfonyl group - Isoindole or derivatives - Phenylpropane - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Sulfone - Sulfonyl - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as oxaergolines. These are alkaloids with a structure based on the oxaergoline skeleton, an analog of ergoline obtained by substituted one of the pyridine C atom by an oxygen atom.

External Descriptors

Not available

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