Compound Identification
SMILES
CN1CC(CSC2=CC=CC=N2)C=C2[C@@H]1CC1CNC3=CC=CC2=C13
InChIKey
InChIKey=FQTIRZGRPVLRMG-ZOJXTTQQSA-N
Formula
C21H23N3S
Mass
349.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class 6,7-secoergolines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
6,7-secoergolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
6,7-secoergolines
Alternative Parents
Ergoline and derivatives Benzoquinolines Tetralins Isoindoles and derivatives Indolines Secondary alkylarylamines Aralkylamines Alkylarylthioethers Pyridines and derivatives Heteroaromatic compounds Trialkylamines Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6,7-secoergoline - Ergoline skeleton - Benzoquinoline - Tetralin - Quinoline - Indole or derivatives - Dihydroindole - Isoindole or derivatives - Aryl thioether - Aralkylamine - Alkylarylthioether - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Secondary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6,7-secoergolines. These are compounds containing a tricyclic ergoline analog, where carbon atoms C6 and C7 are not linked to each other.
External Descriptors
Not available