Compound Identification
SMILES
COC(=O)C1C2CC3N(CCC11C3=NC3=CC=CC=C13)CC2=CC
InChIKey
InChIKey=LITYYRLWHAQJQS-UHFFFAOYSA-N
Formula
C20H22N2O2
Mass
322.408
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Akuammilan and related alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Akuammilan and related alkaloids
Alternative Parents
Quinolizidines 3-alkylindoles Aralkylamines Piperidines Benzenoids Methyl esters Trialkylamines Ketimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Akuammilan skeleton - Quinolizidine - 3-alkylindole - Indole or derivatives - Aralkylamine - Piperidine - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Imine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as akuammilan and related alkaloids. These are alkaloids with a structure based on either the akuammilan skeleton. The ring system in this group is formed from a precursor of the corynantheine type by bond formation between C-16 and C-7. Variations in this subgroup include, among others, alkaloids derived by C-3 to N-4 bond fission, as well as alkaloids in which the N-4 to C-5 bond in the Akuammiline skeleton has been severed.
External Descriptors
Not available