Compound Identification
SMILES
[H]\C(C)=C1/CN2CC[C@]34C5=CC=CC=C5N=C3[C@@]2([H])C[C@@]1([H])[C@]4(CO)C(=O)OC
InChIKey
InChIKey=XLHUHYFKFFGUFE-TYLHBUMCSA-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
Akuammilan and related alkaloids Quinolizidines 3-alkylindoles Aralkylamines Beta hydroxy acids and derivatives Piperidines Benzenoids Methyl esters Trialkylamines Amino acids and derivatives Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Akuammilan skeleton - Quinolizidine - 3-alkylindole - Indole or derivatives - Beta-hydroxy acid - Aralkylamine - Hydroxy acid - Piperidine - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Primary alcohol - Hydrocarbon derivative - Imine - Organic oxide - Organopnictogen compound - Alcohol - Amine - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen 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