Compound Identification
SMILES
Clc1ccc(\C=C\C(=O)NC(=S)N2C[C@H]3C[C@H](C2)C2=CC=CC(=O)N2C3)cc1
InChIKey
InChIKey=HLARKQDFTHYYRL-HKFHSAMXSA-N
Formula
C21H20ClN3O2S
Mass
413.92
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
Cinnamic acids and derivatives Styrenes Chlorobenzenes Pyridinones Aryl chlorides Piperidines Heteroaromatic compounds Lactams Thioureas Azacyclic compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Cinnamic acid or derivatives - Styrene - Chlorobenzene - Halobenzene - Pyridinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Thiourea - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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