Compound Identification
SMILES
COC(=O)CC(CNC(=S)N1CC2CC(C1)C1=CC=CC(=O)N1C2)C1=CC=CC=C1
InChIKey
InChIKey=YCROBYNBHOLFOY-UHFFFAOYSA-N
Formula
C23H27N3O3S
Mass
425.55
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
Gamma amino acids and derivatives Pyridinones Fatty acid methyl esters Piperidines Benzene and substituted derivatives Methyl esters Heteroaromatic compounds Thioureas Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Gamma amino acid or derivatives - Fatty acid ester - Pyridinone - Fatty acid methyl ester - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Fatty acyl - Methyl ester - Heteroaromatic compound - Thiourea - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur 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