Compound Identification
SMILES
CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)C1=CC=C(C(=O)N1C2)C1=CC=CC=C1CN(C)C
InChIKey
InChIKey=XRXYZHLYUUHZRO-PKOBYXMFSA-N
Formula
C23H31N3O3S
Mass
429.58
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
Phenylpyridines Phenylmethylamines Benzylamines Pyridinones Aralkylamines Piperidines Organosulfonamides Organic sulfonamides Sulfonyls Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - 3-phenylpyridine - Benzylamine - Phenylmethylamine - Pyridinone - Aralkylamine - Piperidine - Pyridine - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Lactam - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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