Compound Identification
SMILES
COC(=O)[C@@H](CC1=CN2C[C@@H]3[C@H](C)OC=C([C@H]3CC2=C2N=C3C=CC=CC3=C12)C(=O)OC)[C@H]1C[C@@H]2N(CCC3=C2NC2=CC=CC=C32)C\C1=C\C
InChIKey
InChIKey=QWAUBSSAJRGKPX-XKMAVODYSA-N
Formula
C42H44N4O5
Mass
684.837
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 Fatty acid esters Benzenoids Dicarboxylic acids and derivatives Pyridines and derivatives Piperidines Heteroaromatic compounds Enoate esters Pyrroles Vinylogous esters Methyl esters Trialkylamines Amino acids and derivatives Oxacyclic compounds 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 - Fatty acid ester - Aralkylamine - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Piperidine - Pyridine - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Pyrrole - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen 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