Compound Identification
SMILES
O[C@@H](CSCC1=CC=CC=C1)CN1C[C@@H]2C[C@H](C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=NAQAQSQPMQDCCJ-IPMKNSEASA-N
Formula
C21H26N2O2S
Mass
370.51
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
Pyridinones Aralkylamines Piperidines Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Secondary alcohols Lactams 1,2-aminoalcohols Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Pyridinone - Aralkylamine - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - 1,2-aminoalcohol - Lactam - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Dialkylthioether - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic nitrogen 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