Compound Identification
SMILES
CC[C@@H]1[C@@H](C[C@H]2N(CCC3=C2N(CC2=CC=CC=C2)C2=CC=CC=C32)C1=S)C(C(=O)OC)C(=O)OC
InChIKey
InChIKey=ZEWHEKBAEZWHSY-ZFJSRUIDSA-N
Formula
C29H32N2O4S
Mass
504.65
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 N-alkylindoles Quinolizines 1,3-dicarbonyl compounds Benzene and substituted derivatives Dicarboxylic acids and derivatives Substituted pyrroles Piperidines Heteroaromatic compounds Methyl esters Thiolactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Thiocarbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Beta-carboline - Pyridoindole - N-alkylindole - Quinolizine - 3-alkylindole - Indole - Indole or derivatives - Benzenoid - 1,3-dicarbonyl compound - Substituted pyrrole - Piperidine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Thiolactam - Pyrrole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Thiocarbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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