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]3NCCO[C@]23C)C=C1
InChIKey
InChIKey=OKVPMOBTMKJENF-IRPSRAIASA-N
Formula
C29H38N2O3S
Mass
494.69
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 Phenylpropanes Isoindoles and derivatives Benzenesulfonyl compounds Cumenes Aralkylamines Morpholines Sulfones Pyrroles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Dialkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxaergoline skeleton - 3-alkylindole - Cumene - Indole - Indole or derivatives - Isoindole or derivatives - Phenylpropane - Benzenesulfonyl group - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Morpholine - Oxazinane - Heteroaromatic compound - Sulfonyl - Sulfone - Pyrrole - Secondary aliphatic amine - Organoheterocyclic compound - Oxacycle - Azacycle - Ether - Secondary amine - Dialkyl ether - Organic oxygen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - 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