Compound Identification
SMILES
[Cl-].COC(=O)[C@]1(CO)[C@H]2C[C@H]3C4=C(C[C@@H]1[N+]3(C)C\C2=C\C)C1=C(N4C)C(OC)=CC=C1
InChIKey
InChIKey=AUVZXACATRJFOP-FXVXIZHYSA-M
Formula
C24H31ClN2O4
Mass
446.97
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 N-alkylindoles Piperidinecarboxylic acids Quinuclidines Anisoles Alkyl aryl ethers Aralkylamines Beta hydroxy acids and derivatives N-methylpyrroles 1,3-aminoalcohols Tetraalkylammonium salts Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic chloride salts Organic oxides Carbonyl compounds Primary alcohols Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macroline skeleton - Corynanthean skeleton - Vobasan skeleton - Beta-carboline - Pyridoindole - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Phenol ether - Quinuclidine - Alkyl aryl ether - Beta-hydroxy acid - Aralkylamine - Hydroxy acid - N-methylpyrrole - Piperidine - Benzenoid - Substituted pyrrole - Pyrrole - Methyl ester - Tetraalkylammonium salt - Quaternary ammonium salt - Heteroaromatic compound - 1,3-aminoalcohol - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic chloride salt - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Primary alcohol - 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