Compound Identification
SMILES
CC[C@@H]1CN2CCC3=C(NC4=CC=CC=C34)[C@@H]2C[C@@H]1\C(=C\OC)C(=O)OC
InChIKey
InChIKey=NMLUOJBSAYAYEM-OCUKFOPLSA-N
Formula
C22H28N2O3
Mass
368.477
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 3-alkylindoles Quinolizines Aralkylamines Benzenoids Piperidines Methyl esters Heteroaromatic compounds Enoate esters Pyrroles Vinylogous esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Beta-carboline - Pyridoindole - Quinolizine - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Piperidine - Benzenoid - Vinylogous ester - Pyrrole - Methyl ester - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - 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