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]3NC(=O)CO[C@]23C)C=C1
InChIKey
InChIKey=PVKUMMNRYJJOQX-GIGWZHCTSA-N
Formula
C29H36N2O4S
Mass
508.68
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 Benzenesulfonyl compounds Cumenes Isoindoles and derivatives Morpholines Sulfones Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxaergoline skeleton - 3-alkylindole - Cumene - Indole - Indole or derivatives - Benzenesulfonyl group - Isoindole or derivatives - Phenylpropane - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Sulfone - Sulfonyl - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - 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