Compound Identification
SMILES
COC(=O)C12[C@@H]3C[C@]4([C@@H]1O)[C@@H]([C@@H]1C[C@H]2\C(CN31)=C\C)N(C(=O)C1=CC=CC=C1)C1=CC=CC=C41
InChIKey
InChIKey=RWWHZFXLVFCMBJ-KWNAZNSVSA-N
Formula
C28H28N2O4
Mass
456.542
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 Indolecarboxylic acids and derivatives Quinolizidines Benzamides Piperidinecarboxylic acids Quinuclidines Benzoyl derivatives Aralkylamines Azepanes Beta hydroxy acids and derivatives Methyl esters Tertiary carboxylic acid amides Secondary alcohols Amino acids and derivatives Trialkylamines Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Pyridoindole - Beta-carboline - Indolecarboxylic acid derivative - Quinolizidine - Benzoic acid or derivatives - Benzamide - Piperidinecarboxylic acid - Indole or derivatives - Benzoyl - Quinuclidine - Aralkylamine - Beta-hydroxy acid - Azepane - Monocyclic benzene moiety - Benzenoid - Piperidine - Hydroxy acid - Methyl ester - Cyclic alcohol - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Alcohol - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - 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