Compound Identification
SMILES
[I-].COC(=O)[C@]1(CO)[C@H]2C[C@H]3C4=C(C[C@@H]1[N+]3(C)C\C2=C\C)C1=CC=CC=C1N4
InChIKey
InChIKey=VVOSRYHOWNMDIG-BLEODMIWSA-M
Formula
C22H27IN2O3
Mass
494.373
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
Corynanthean-type alkaloids Vobasan alkaloids Beta carbolines 3-alkylindoles Piperidinecarboxylic acids Quinuclidines Aralkylamines Beta hydroxy acids and derivatives Benzenoids Tetraalkylammonium salts 1,3-aminoalcohols Pyrroles Heteroaromatic compounds Methyl esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic iodide salts Organic oxides Primary alcohols Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macroline skeleton - Corynanthean skeleton - Vobasan skeleton - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Quinuclidine - Beta-hydroxy acid - Aralkylamine - Hydroxy acid - Piperidine - Benzenoid - 1,3-aminoalcohol - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrole - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Organic iodide salt - Carbonyl group - Primary alcohol - Organic nitrogen compound - Organic salt - Organic zwitterion - 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