Compound Identification
SMILES
COC(=O)[C@]12CC[C@]34C=CC(=O)N5CC(CC3=O)[C@]1([C@@H]45)C1=CC=CC=C1N2
InChIKey
InChIKey=JWJHMYMFIHHXLU-AAKQKBRMSA-N
Formula
C21H20N2O4
Mass
364.401
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 Benzenoids Methyl esters Tertiary carboxylic acid amides Pyrrolidines Lactams 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 - Indolecarboxylic acid derivative - Alpha-amino acid or derivatives - Indole or derivatives - Dihydroindole - Azepane - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen 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