Compound Identification
SMILES
COC(=O)[C@@]12[C@@H]3CC4([C@@H](NC5=CC=CC=C45)C4C[C@H]1\C(CN34)=C\C)C2=O
InChIKey
InChIKey=CPDGFAJFDAOTHV-YABVUJTLSA-N
Formula
C21H22N2O3
Mass
350.418
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Corynanthean-type alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Corynanthean-type alkaloids
Alternative Parents
Beta carbolines Quinolizidines Piperidinecarboxylic acids Indolines Quinuclidines Aralkylamines Secondary alkylarylamines Azepanes Benzenoids Methyl esters Amino acids and derivatives Trialkylamines Ketones Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Beta-carboline - Pyridoindole - Quinolizidine - Indole or derivatives - Dihydroindole - Piperidinecarboxylic acid - Quinuclidine - Azepane - Aralkylamine - Secondary aliphatic/aromatic amine - Piperidine - Benzenoid - Methyl ester - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Ketone - Secondary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as corynanthean-type alkaloids. These are alkaloids with a structure based on the corynanthean nucleus, which is a tetracycle characterized by an indole fused to a quinolizidine. Additionally, the quinolizidine ring system is substituted to a 2-methylpropyl group and one ethyl group.
External Descriptors
Not available