Compound Identification
SMILES
O=C(CN1C(=O)S\C(=C\C2=CC=CO2)C1=O)N1C[C@@H]2C[C@H](C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=VETIPRLHUXVWSV-RXZALDHMSA-N
Formula
C21H19N3O5S
Mass
425.46
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
Alpha amino acids and derivatives N-acylpiperidines Thiazolidinediones Pyridinones Heteroaromatic compounds Furans Dicarboximides Tertiary carboxylic acid amides Thiocarbamic acid derivatives Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Alpha-amino acid or derivatives - N-acyl-piperidine - Pyridinone - Thiazolidinedione - Piperidine - Pyridine - Dicarboximide - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Lactam - Carboxamide group - Thiocarbamic acid derivative - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - 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