Compound Identification
SMILES
CN(CCCSCC(=O)C1=CCC[C@H]2CCC1N2)S(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=JGGYGHRVYUUGII-UCFFOFKASA-N
Formula
C20H28N2O3S2
Mass
408.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Anatoxins
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Anatoxins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Anatoxins
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Azepines Organosulfonamides Beta-amino ketones Pyrrolidines Aminosulfonyl compounds Sulfenyl compounds Dialkylthioethers Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anatoxin skeleton - Benzenesulfonamide - Benzenesulfonyl group - Azepine - Monocyclic benzene moiety - Beta-aminoketone - Organosulfonic acid amide - Benzenoid - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Ketone - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Secondary amine - Thioether - Azacycle - Secondary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anatoxins. These are organic compounds containing or derived from anatoxin, homoanatoxin or other analogues. Anatoxins constitute a class of potent neurotoxic alkaloids.
External Descriptors
Not available