Compound Identification
SMILES
COC(O)C1(C(O)CCC2CN3CCC4=C(NC5=C4C=CC=C5)C3CC12)C(O)=O
InChIKey
InChIKey=ROWMSYNNEDLXMQ-UHFFFAOYSA-N
Formula
C22H28N2O5
Mass
400.475
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 Aralkylamines Beta hydroxy acids and derivatives Piperidines Benzenoids Pyrroles Heteroaromatic compounds Trialkylamines Amino acids Secondary alcohols Cyclic alcohols and derivatives Hemiacetals Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Beta-hydroxy acid - Aralkylamine - Benzenoid - Piperidine - Hydroxy acid - Heteroaromatic compound - Cyclic alcohol - Pyrrole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid - Hemiacetal - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen 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