Compound Identification
SMILES
FC(F)(F)C1=CC(=CC=C1)N1CCN(CC1)C(=O)CC(=O)CN1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=FEBIDRUAOSHZLA-UHFFFAOYSA-N
Formula
C26H29F3N4O3
Mass
502.538
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
Phenylpiperazines N-arylpiperazines Trifluoromethylbenzenes Aniline and substituted anilines Dialkylarylamines Aralkylamines Pyridinones 1,3-dicarbonyl compounds Piperidines Heteroaromatic compounds Tertiary carboxylic acid amides Alpha-amino ketones Lactams Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Pyridinone - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Piperidine - Pyridine - 1,3-dicarbonyl compound - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Alpha-aminoketone - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Ketone - Lactam - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Amine - 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