Compound Identification
SMILES
COC(=O)[C@@]12CC[C@]34CCCN5CC(C(=O)C3)[C@@]1([C@H]45)C1=C(N2)C(O)=CC=C1
InChIKey
InChIKey=BQKDWDBKLKGNBP-CQSMAUMTSA-N
Formula
C21H24N2O4
Mass
368.433
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
Aspidospermatan-type alkaloids Alpha amino acid esters Carbazoles Indolecarboxylic acids Quinolidines Indolizidines Indolines 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Azepanes Piperidines N-alkylpyrrolidines Methyl esters Trialkylamines Ketones Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspidofractine skeleton - Aspidosperma alkaloid - Alpha-amino acid ester - Carbazole - Indolecarboxylic acid - Indolecarboxylic acid derivative - Alpha-amino acid or derivatives - Quinolidine - Indole or derivatives - Dihydroindole - Indolizidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Azepane - Aralkylamine - Phenol - Secondary aliphatic/aromatic amine - Benzenoid - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Methyl ester - Tertiary aliphatic amine - Ketone - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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