Compound Identification
SMILES
[Cl-].COC(=O)[C@@H]1[C@H]2C[C@H]3C4=C(C[C@@H]1[N+]3(C)C\C2=C\C)C1=CC=CC=C1N4
InChIKey
InChIKey=AYKIRXKYBZSTJS-HOZRVQBWSA-M
Formula
C21H25ClN2O2
Mass
372.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Macroline alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Macroline alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Macroline alkaloids
Alternative Parents
Vobasan alkaloids Ajmaline-sarpagine alkaloids Beta carbolines 3-alkylindoles Piperidinecarboxylic acids Quinuclidines Aralkylamines Benzenoids Tetraalkylammonium salts Pyrroles Heteroaromatic compounds Methyl esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic chloride salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macroline skeleton - Sarpagine-skeleton - Vobasan skeleton - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Quinuclidine - Aralkylamine - Benzenoid - Piperidine - Tetraalkylammonium salt - Methyl ester - Heteroaromatic compound - Pyrrole - Quaternary ammonium salt - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic salt - Amine - Carbonyl group - Hydrocarbon derivative - Organic chloride salt - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as macroline alkaloids. These are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids.
External Descriptors
Not available