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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
- Subclass Clavines and derivatives
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Class
Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
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
p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds 3-alkylindoles Benzenesulfonamides Arylsulfonic acids and derivatives Benzenesulfonyl compounds Isoindoles and derivatives Substituted pyrroles Organosulfonic acid esters Carbamate esters Sulfonyls Heteroaromatic compounds Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
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