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]3NCCO[C@]23C)C=C1

InChIKey

InChIKey=OKVPMOBTMKJENF-IRPSRAIASA-N

Formula

C29H38N2O3S

Mass

494.69

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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 - Isoindole or derivatives - Phenylpropane - Benzenesulfonyl group - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Morpholine - Oxazinane - Heteroaromatic compound - Sulfonyl - Sulfone - Pyrrole - Secondary aliphatic amine - Organoheterocyclic compound - Oxacycle - Azacycle - Ether - Secondary amine - Dialkyl ether - Organic oxygen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - 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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