Compound Identification
SMILES
CN([C@@H]1CC2=CN(C3=CC=CC([C@@H]1CC(C)=C)=C23)S(=O)(=O)C1=CC=C(C)C=C1)C(=O)OC(C)(C)C
InChIKey
InChIKey=LFMDKCGBVCWYRC-UKILVPOCSA-N
Formula
C28H34N2O4S
Mass
494.65
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 Benzenesulfonamides 3-alkylindoles Isoindoles and derivatives Benzenesulfonyl compounds Substituted pyrroles Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chanoclavine skeleton - Benzenesulfonamide - 3-alkylindole - Tosyl compound - Benzenesulfonyl group - Indole - Indole or derivatives - Isoindole or derivatives - Toluene - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - 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