Compound Identification
SMILES
CCCN1CC(CSCC)C[C@H]2[C@H]1CC1CNC3=CC=CC2=C13
InChIKey
InChIKey=VNSMMNZQWKXSOM-IUSFWMAGSA-N
Formula
C20H30N2S
Mass
330.53
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 Piperidines 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 - Piperidine - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Azacycle - Thioether - Amine - Organosulfur compound - Organonitrogen compound - 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