Compound Identification
SMILES
O=C1C=CC=C2C3CC(CN12)C[NH+](CN1N2CCCC(=O)N=C2SC1=S)C3
InChIKey
InChIKey=QYMOEXDFIZBGJK-UHFFFAOYSA-O
Formula
C18H22N5O2S2
Mass
404.53
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 1,3-diazepines Piperidines Thiadiazolidines Quaternary ammonium salts Heteroaromatic compounds N-acylimines Lactams Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Meta-diazepine - Pyridinone - Piperidine - Pyridine - Heteroaromatic compound - Quaternary ammonium salt - Thiadiazolidine - Lactam - N-acylimine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic cation - 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