Compound Identification
SMILES
COC(=O)C12[C@@H]3C[C@@]4([C@H](Nc5ccccc45)[C@@H]4C[C@@H]1C(CN34)=CC)C2O
InChIKey
InChIKey=RLUORQGMBKDXPO-ICSCUWGGSA-N
Formula
C21H24N2O3
Mass
352.434
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
Delta amino acids and derivatives Beta carbolines Quinolizidines Piperidinecarboxylic acids Indolines Quinuclidines Secondary alkylarylamines Beta hydroxy acids and derivatives Azepanes Aralkylamines Benzenoids Methyl esters Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Pyridoindole - Delta amino acid or derivatives - Beta-carboline - Quinolizidine - Piperidinecarboxylic acid - Dihydroindole - Indole or derivatives - Quinuclidine - Aralkylamine - Secondary aliphatic/aromatic amine - Beta-hydroxy acid - Azepane - Benzenoid - Piperidine - Hydroxy acid - Methyl ester - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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