Structure Information
Structure

Compound Identification

SMILES

CC(COS(=O)(=O)C1=CC=C(C)C=C1)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)OC(C)(C)C

InChIKey

InChIKey=GKWKWMARYJFEAP-VGACWJCBSA-N

Formula

C35H42N2O7S2

Mass

666.85

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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 - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Benzenesulfonamide - 3-alkylindole - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Indole - Isoindole or derivatives - Indole or derivatives - Toluene - Substituted pyrrole - Benzenoid - Organosulfonic acid ester - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Carbamic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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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