Compound Identification
SMILES
FC1=C(Cl)C=C(NC(=S)N2CC3CC(C2)C2=CC=CC(=O)N2C3)C=C1
InChIKey
InChIKey=RXKCHYZFZMUMFH-UHFFFAOYSA-N
Formula
C18H17ClFN3OS
Mass
377.86
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 Chlorobenzenes Fluorobenzenes Pyridinones Aryl fluorides Aryl chlorides Piperidines Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - N-phenylthiourea - Chlorobenzene - Fluorobenzene - Halobenzene - Pyridinone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Thiourea - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen 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