Compound Identification
SMILES
COC(=O)[C@@]12COCC=C3C[N+](C)(CC[C@H]13)CC1=C2NC2=CC=CC=C12
InChIKey
InChIKey=QPUQMKGFNJGDRZ-AFCKPWEZSA-N
Formula
C21H25N2O3
Mass
353.441
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Vallesaman alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Vallesaman alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Vallesaman alkaloids
Alternative Parents
3-alkylindoles Aralkylamines Piperidines Benzenoids Tetraalkylammonium salts Pyrroles Heteroaromatic compounds Methyl esters Oxacyclic compounds Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Vallesaman-skeleton - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Piperidine - Benzenoid - Tetraalkylammonium salt - Pyrrole - Quaternary ammonium salt - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as vallesaman alkaloids. These are alkaloids with a structure that is based on the vallesaman skeleton, a tetracyclic compound that contains a piperidine ring fused to an indole.
External Descriptors
Not available