Compound Identification
SMILES
CO[C@H]1C[C@]23C(=NC4=C2C=C(OC)C=C4)[C@@H]2C[C@@H](\C(CN12)=C/C)[C@]3(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C(=O)OC
InChIKey
InChIKey=XKFJXNCXTUBNCB-IITKNETISA-N
Formula
C33H38N2O9
Mass
606.672
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 Gallic acid and derivatives P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Quinolizidines 3-alkylindoles Benzoic acid esters Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Piperidines Methyl esters Ketimines Hemiaminals Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Akuammilan skeleton - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Quinolizidine - 3-alkylindole - Benzoate ester - Indole or derivatives - Benzoic acid or derivatives - Benzoyl - Phenol ether - Anisole - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Ketimine - Hemiaminal - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Imine - 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