Compound Identification
SMILES
CC1=C2N=C3C=CC=CC3=C([O-])N2[C@H](CC2=C[NH2+]C3=CC=CC=C23)C(=O)C1CC[S+]=O
InChIKey
InChIKey=TZDQOYBVIXHIBM-CAWMZFRYSA-O
Formula
C24H22N3O3S
Mass
432.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class 10,11-secoergolines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
10,11-secoergolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
10,11-secoergolines
Alternative Parents
Ergoline and derivatives Quinazolines Indoles and derivatives Tetrahydropyridines Secondary alkylarylamines Benzenoids Ketene acetals Cyclic ketones Azacyclic compounds Organosulfur compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
10,11-secoergoline - Ergoline skeleton - Quinazoline - Indole or derivatives - Secondary aliphatic/aromatic amine - Tetrahydropyridine - Benzenoid - Ketene acetal or derivatives - Ketone - Cyclic ketone - Organoheterocyclic compound - Secondary amine - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 10,11-secoergolines. These are ergoline derivatives, where carbon atoms C10 and C11 of the ergoline moiety are not linked to each other.
External Descriptors
Not available