Compound Identification
SMILES
COC(=O)C1=CC=C(NC(=S)N2CC3CC(C2)C2=CC=CC(=O)N2C3)C=C1
InChIKey
InChIKey=DWJAUQKUFYVBGL-UHFFFAOYSA-N
Formula
C20H21N3O3S
Mass
383.47
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
N-phenylthioureas Benzoic acid esters Benzoyl derivatives Pyridinones Piperidines Methyl esters Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Benzoate ester - N-phenylthiourea - Benzoic acid or derivatives - Benzoyl - Pyridinone - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Lactam - Thiourea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur 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