Compound Identification
SMILES
[H][C@@]1(C)NC=C(C(=O)OC)[C@@]2([H])C[C@]3([H])N(CCC4=C3NC3=CC=CC=C43)C[C@@]12[H]
InChIKey
InChIKey=QRQPCYRAKCACCD-UBTURXDTSA-N
Formula
C21H25N3O2
Mass
351.45
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 Naphthyridines Aralkylamines Tetrahydropyridines Benzenoids Piperidines Vinylogous amides Pyrroles Enoate esters Heteroaromatic compounds Methyl esters Amino acids and derivatives Trialkylamines Enamines Dialkylamines Allylamines Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Beta-carboline - Pyridoindole - Diazanaphthalene - Naphthyridine - 3-alkylindole - Indole - Indole or derivatives - Tetrahydropyridine - Aralkylamine - Piperidine - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Secondary amine - Allylamine - Azacycle - Amine - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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