Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=O)N2CC3CC(C2)C2=CC=C(N=C(O)C4=CN=CC=N4)C(=O)N2C3)C=C1
InChIKey
InChIKey=GPTPAGXRWRYTJH-UHFFFAOYSA-N
Formula
C25H24N6O4
Mass
472.505
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
Alkyl-phenylketones N-phenylureas Acetophenones Piperidinecarboxamides Aryl alkyl ketones Benzoyl derivatives Pyridinones Pyrazines Heteroaromatic compounds Lactams Ureas Carboximidic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Alkyl-phenylketone - N-phenylurea - Piperidinecarboxamide - 1-piperidinecarboxamide - Acetophenone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Pyridinone - Pyrazine - Pyridine - Piperidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ketone - Lactam - Urea - Organoheterocyclic compound - Azacycle - Carboximidic acid derivative - Carboximidic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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