Compound Identification
SMILES
COC(=O)C1(CO)[C@@H]2CC3=C(NC4=CC=CC=C34)[C@@H]3C[C@@H]1\C(CN23)=C/C
InChIKey
InChIKey=RCEFXZXHYFOPIE-JLQCRAJZSA-N
Formula
C21H24N2O3
Mass
352.434
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 Heteroaromatic compounds 1,3-aminoalcohols Pyrroles Methyl esters Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macroline skeleton - Corynanthean skeleton - Vobasan skeleton - Pyridoindole - Beta-carboline - 3-alkylindole - Piperidinecarboxylic acid - Indole - Indole or derivatives - Quinuclidine - Beta-hydroxy acid - Aralkylamine - Piperidine - Hydroxy acid - Benzenoid - Heteroaromatic compound - 1,3-aminoalcohol - Pyrrole - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - 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