Compound Identification
SMILES
CC[C@H]1CN2CCC3=C([C@H]2C[C@@H]1C(C(=O)OC)C(=O)OC)N(CC1=CC=CC=C1)C1=CC=CC=C31
InChIKey
InChIKey=NJQXQCNDYYBBGK-GRYUFTJMSA-N
Formula
C29H34N2O4
Mass
474.601
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 Quinolizines N-alkylindoles 3-alkylindoles Aralkylamines Substituted pyrroles Piperidines 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Benzene and substituted derivatives Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Beta-carboline - Pyridoindole - Quinolizine - 3-alkylindole - N-alkylindole - Indole - Indole or derivatives - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Substituted pyrrole - 1,3-dicarbonyl compound - Benzenoid - Methyl ester - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Amine - 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