Compound Identification
SMILES
COC(=O)[C@@]12CC[C@]34CCCN5C[C@H](C(=O)C3)[C@]1([C@H]45)C1=CC=CC=C1N2
InChIKey
InChIKey=DQJVZFCMYXOSQZ-HOUJDRPRSA-N
Formula
C21H24N2O3
Mass
352.434
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 Indolines Indolizidines Secondary alkylarylamines Aralkylamines Azepanes Piperidines N-alkylpyrrolidines Benzenoids Methyl esters Trialkylamines Ketones Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspidofractine skeleton - Aspidosperma alkaloid - Alpha-amino acid ester - Carbazole - Indolecarboxylic acid derivative - Indolecarboxylic acid - Alpha-amino acid or derivatives - Quinolidine - Dihydroindole - Indolizidine - Indole or derivatives - Azepane - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - N-alkylpyrrolidine - Piperidine - Methyl ester - Pyrrolidine - Ketone - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - 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