Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)N[C@H](N1C[C@@H]2C[C@H](C1)C1=CC=CC(=O)N1C2)C(Cl)(Cl)Cl
InChIKey
InChIKey=KVMJSDSCLAGSAK-BBEJJTJUSA-N
Formula
C20H19Cl4N3O2
Mass
475.19
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
4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Pyridinones Chlorobenzenes Piperidines Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Alkyl chlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Pyridinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Alkyl chloride - Organic oxygen compound - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organochloride - 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