Compound Identification
SMILES
ClC(Cl)(Cl)C\C=C/[C@@H]1[C@@H]2CCC[C@]11CCC[C@@H](CC=O)N1O2
InChIKey
InChIKey=HNPVTCWNNDBSEU-RNBNDKODSA-N
Formula
C16H22Cl3NO2
Mass
366.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Histrionicotoxins
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Histrionicotoxins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Histrionicotoxins
Alternative Parents
Azaspirodecane derivatives 1,2-oxazepines Piperidines Isoxazolidines Alpha-hydrogen aldehydes Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Histrionicotoxin skeleton - Azaspirodecane - Ortho-oxazepine - Piperidine - Alpha-hydrogen aldehyde - Isoxazolidine - Oxacycle - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl chloride - Organic oxygen compound - Aldehyde - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as histrionicotoxins. These are frog toxins structurally characterized by the presence of a dodecahydropyrrolo[1,2-a]quinolin-1-yl}ethanol moiety or a 2,7-disubstituted 1-azaspiro[5.5]undecan-8-ol moiety.
External Descriptors
Not available