Compound Identification
SMILES
ClC1=CC(Cl)=C(C=C1)C1=CSC(=N1)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=GCFVUYPNDBTJHJ-UHFFFAOYSA-N
Formula
C20H17Cl2N3OS
Mass
418.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Lupin alkaloids
- Subclass Cytisine and derivatives
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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
Dichlorobenzenes Dialkylarylamines Pyridinones 2,4-disubstituted thiazoles Piperidines Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - 1,3-dichlorobenzene - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Pyridinone - 1,3-thiazol-2-amine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Pyridine - Piperidine - Heteroaromatic compound - Azole - Thiazole - Lactam - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen 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