Compound Identification
SMILES
CSCC1CN(C)[C@H]2CC3CNC4=CC=CC(=C34)C2=C1
InChIKey
InChIKey=OZIWRHKRMMZRKP-PPUFBPAQSA-N
Formula
C17H22N2S
Mass
286.44
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 Trialkylamines Sulfenyl compounds Dialkylthioethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6,7-secoergoline - Ergoline skeleton - Benzoquinoline - Quinoline - Tetralin - Indole or derivatives - Dihydroindole - Isoindole or derivatives - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Azacycle - Thioether - 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