Compound Identification
SMILES
FC(F)(F)C1=CC(=NC2=C(Cl)C(=NN12)C(=O)OC[C@@H]1CCC[NH+]2CCCC[C@@H]12)C1=CC=CS1
InChIKey
InChIKey=UATSORGDFWLUQU-ZFWWWQNUSA-O
Formula
C22H23ClF3N4O2S
Mass
499.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Lupin alkaloids
- Subclass Lupinine-type alkaloids
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Class
Lupin alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Lupin alkaloids
Subclass
Lupinine-type alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Lupinine-type alkaloids
Alternative Parents
Quinolizines Quinolizidines Pyrazolo[1,5-a]pyrimidines Pyrazole carboxylic acids and derivatives Aryl chlorides Piperidines Pyrimidines and pyrimidine derivatives Vinylogous halides Heteroaromatic compounds Thiophenes Quaternary ammonium salts Amino acids and derivatives Carboxylic acid esters Trialkylamines Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lupinine - Quinolizidine - Quinolizine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Piperidine - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Pyrazole - Thiophene - Quaternary ammonium salt - Azole - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl fluoride - Amine - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lupinine-type alkaloids. These are lupin alkaloids with a structure based on the lupinine skeleton, which is a bicyclic compound consisting of a quinolizidine.
External Descriptors
Not available