Compound Identification
SMILES
OC(=O)CCC(=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=MEACAACQYFVMMP-DZGCQCFKSA-N
Formula
C22H21F3N2O5
Mass
450.414
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 Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - 3-phenylpyridine - N-acyl-piperidine - Phenoxy compound - Phenol ether - Pyridinone - Monocyclic benzene moiety - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Trihalomethane - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organohalogen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Halomethane - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - 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