Compound Identification
SMILES
FC(F)(F)OC1=CC=C(C=C1)C1=CC=C2[C@@H]3C[C@H](CN2C1=O)C[NH+](CC1=CC2=CC=CC=C2N=C1)C3
InChIKey
InChIKey=PVYKZWNTDDFUCQ-SIKLNZKXSA-O
Formula
C28H25F3N3O2
Mass
492.522
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
Phenylpyridines Quinolines and derivatives Phenoxy compounds Phenol ethers Pyridinones Aralkylamines Piperidines Quaternary ammonium salts Heteroaromatic compounds Trihalomethanes Trialkylamines Lactams Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - 3-phenylpyridine - Quinoline - Phenoxy compound - Phenol ether - Pyridinone - Aralkylamine - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Tertiary aliphatic amine - Lactam - Trihalomethane - Azacycle - Organoheterocyclic compound - Alkyl halide - Amine - Halomethane - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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