Compound Identification
SMILES
[O-]C(=O)CCC(=O)N1C[C@@H]2C[C@H](C1)C1=C(C=CC(=O)N1C2)C1=CC=CC=C1C#N
InChIKey
InChIKey=TXTJNNFNEQSCIX-GOEBONIOSA-M
Formula
C22H20N3O4
Mass
390.42
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
Phenylpyridines N-acylpiperidines Benzonitriles Pyridinones Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid salts Lactams Azacyclic compounds Carboxylic acids Nitriles Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - 3-phenylpyridine - N-acyl-piperidine - Benzonitrile - Pyridinone - Monocyclic benzene moiety - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Cyanide - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic anion - 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