Compound Identification
SMILES
COC(=O)C1=C(NC(=S)N2CC3CC(C2)C2=CC=CC(=O)N2C3)SC2=C1CCCC2
InChIKey
InChIKey=OLXYWZQPWSPEIK-UHFFFAOYSA-N
Formula
C22H25N3O3S2
Mass
443.58
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
Thiophene carboxylic acids and derivatives Pyridinones Piperidines Vinylogous amides Methyl esters Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Thiophene carboxylic acid or derivatives - Pyridinone - Piperidine - Pyridine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Carboxylic acid ester - Lactam - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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