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]3N(CCO[C@]23C)C(=O)CCl)C=C1
InChIKey
InChIKey=USUVTQOFZOQAIK-NEEKEDPPSA-N
Formula
C31H39ClN2O4S
Mass
571.17
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Oxaergolines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Oxaergolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxaergolines
Alternative Parents
3-alkylindoles Benzenesulfonyl compounds Cumenes Phenylpropanes Isoindoles and derivatives Morpholines Tertiary carboxylic acid amides Sulfones Chloroacetamides Pyrroles Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Oxacyclic compounds Carbonyl compounds Alkyl chlorides Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxaergoline skeleton - 3-alkylindole - Phenylpropane - Cumene - Benzenesulfonyl group - Indole - Isoindole or derivatives - Indole or derivatives - Monocyclic benzene moiety - Oxazinane - Benzenoid - Morpholine - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Chloroacetamide - Pyrrole - Heteroaromatic compound - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl chloride - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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