Compound Identification
SMILES
OCC[C@H]1CC[C@@H]2CC[C@H]3[C@@H](C\C=C/C#C)CCC[C@H]3N12
InChIKey
InChIKey=IQTIQAXNJBRKRG-TZUXHPIWSA-N
Formula
C19H29NO
Mass
287.447
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
Pyrroloquinolines Quinolidines Indolizidines Piperidines N-alkylpyrrolidines 1,3-aminoalcohols Trialkylamines Azacyclic compounds Acetylides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Histrionicotoxin skeleton - Pyrroloquinoline - Quinolidine - Indolizidine - N-alkylpyrrolidine - Piperidine - 1,3-aminoalcohol - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Acetylide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - 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