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
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
Tosyl compounds 3-alkylindoles Benzenesulfonamides Benzyloxycarbonyls Benzenesulfonyl compounds Isoindoles and derivatives Substituted pyrroles Sulfonyls Organosulfonic acids and derivatives Carbamate esters Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
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