Compound Identification
SMILES
COC(=O)[C@@]12CC[C@@]34CC(=O)C5CN(CC=C3)[C@@H]4[C@]15C1=CC=CC=C1N2
InChIKey
InChIKey=YZBXSNMYDYWYJZ-GLAFMBTQSA-N
Formula
C21H22N2O3
Mass
350.418
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Aspidofractine alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Aspidofractine alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Aspidofractine alkaloids
Alternative Parents
Alpha amino acid esters Carbazoles Indolecarboxylic acids Indolines Secondary alkylarylamines Aralkylamines Azepanes N-alkylpyrrolidines Benzenoids Methyl esters Trialkylamines Ketones Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspidofractine skeleton - Alpha-amino acid ester - Carbazole - Indolecarboxylic acid derivative - Indolecarboxylic acid - Alpha-amino acid or derivatives - Dihydroindole - Indole or derivatives - Azepane - Aralkylamine - Secondary aliphatic/aromatic amine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Ketone - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aspidofractine alkaloids. These are alkaloids with a structure that is based on the hexacyclic aspidofractine core. These compounds are related to the Aspidosperma group by formation of a C-2 to C-18 bond.
External Descriptors
Not available