Compound Identification
SMILES
FC1=CC=C(CNC(=O)CCC(=O)N2C[C@@H]3C[C@@H](C2)C2=CC=CC(=O)N2C3)C=C1
InChIKey
InChIKey=SBMMVWNLPKALNQ-IRXDYDNUSA-N
Formula
C22H24FN3O3
Mass
397.45
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
N-acylpiperidines Fluorobenzenes Pyridinones Aryl fluorides N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Amino acids and derivatives Secondary carboxylic acid amides Tertiary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - N-acyl-piperidine - Halobenzene - Fluorobenzene - Pyridinone - N-acyl-amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyridine - Piperidine - Fatty amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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