Compound Identification
SMILES
CSCC(=O)N1C[C@@H]2C[C@H](C1)C1=C(C=CC(=O)N1C2)C1=CC=C(OC(F)(F)F)C=C1
InChIKey
InChIKey=WWCFJELCVIXKGT-DZGCQCFKSA-N
Formula
C21H21F3N2O3S
Mass
438.47
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 Phenol ethers Phenoxy compounds Pyridinones Heteroaromatic compounds Tertiary carboxylic acid amides Trihalomethanes Lactams Dialkylthioethers Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - 3-phenylpyridine - N-acyl-piperidine - Phenoxy compound - Phenol ether - Pyridinone - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Trihalomethane - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Dialkylthioether - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Organic oxygen compound - Organosulfur compound - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Halomethane - 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