Compound Identification
SMILES
COC(=O)C1(COC(=O)C2=CC(OC)=C(OC)C(OC)=C2)[C@@H]2C[C@@H]3N(CC[C@@]11C3=NC3=CC=CC=C13)C\C2=C\C
InChIKey
InChIKey=VFYWKVVSDATOPJ-MVMNWWGGSA-N
Formula
C31H34N2O7
Mass
546.62
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 3-alkylindoles Quinolizidines Benzoic acid esters Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Aralkylamines Piperidines Methyl esters Trialkylamines Amino acids and derivatives Ketimines Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Akuammilan skeleton - Gallic acid or derivatives - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Quinolizidine - 3-alkylindole - Benzoate ester - Benzoic acid or derivatives - Indole or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Piperidine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Tertiary aliphatic amine - Tertiary amine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Carbonyl group - Imine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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