Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C2C3CNCC(C3)CN2C1=O
InChIKey
InChIKey=XGIYGQIKFHRRGX-UHFFFAOYSA-N
Formula
C18H21N3O3S
Mass
359.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Lupin alkaloids
- Subclass Cytisine and derivatives
-
Class
Lupin alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Lupin alkaloids
Subclass
Cytisine and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Cytisine and derivatives
Alternative Parents
P-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds Pyridinones Aralkylamines Piperidines Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Lactams Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Pyridinone - Aralkylamine - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Piperidine - Pyridine - Benzenoid - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Lactam - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cytisine and derivatives. These are lupin alkaloids with a structure based on the cytisine skeleton, which is a tetracyclic ketone containing fused pyridine and piperidine rings that form pyrido[1,2a][1,5]diazocin-8-one.
External Descriptors
Not available