Compound Identification
SMILES
CS(O)(=O)=O.CSC1=C2C[C@@H]3[C@H](C=C(C)CN3C)C3=C2C(N1)=CC=C3
InChIKey
InChIKey=NIXIVSNSDVFUFQ-XRZFDKQNSA-N
Formula
C18H24N2O3S2
Mass
380.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
- Subclass Clavines and derivatives
-
Class
Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ergoline and derivatives
Subclass
Clavines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Clavines and derivatives
Alternative Parents
Benzoquinolines Pyrroloquinolines 3-alkylindoles Isoindoles and derivatives Aralkylamines Alkylarylthioethers Benzenoids Substituted pyrroles Organosulfonic acids Methanesulfonates Heteroaromatic compounds Sulfonyls Alkanesulfonic acids Trialkylamines Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Clavine skeleton - Benzoquinoline - Pyrroloquinoline - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aryl thioether - Aralkylamine - Alkylarylthioether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Methanesulfonate - Pyrrole - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Thioether - Sulfenyl compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as clavines and derivatives. These are hydroxy and dehydro derivatives of 6,8-dimethylergolenes and the corresponding ergolines.
External Descriptors
Not available