Compound Identification
SMILES
CN1CC(CSC2=CC=CC=C2)C=C2[C@@H]1CC1CNC3=CC=CC2=C13
InChIKey
InChIKey=OONDWRMFJIXGII-BUNACBEFSA-N
Formula
C22H24N2S
Mass
348.51
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 Thiophenol ethers Secondary alkylarylamines Aralkylamines Alkylarylthioethers Benzene and substituted derivatives Trialkylamines Sulfenyl compounds 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 - Aryl thioether - Thiophenol ether - Aralkylamine - Alkylarylthioether - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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