Compound Identification
SMILES
COC(=O)[C@@]12COCC=C3C[N+]([O-])(CC[C@H]13)CC1=C2NC2=CC=CC=C12
InChIKey
InChIKey=MGRIOAUVLBQEGI-MZRGNRRKSA-N
Formula
C20H22N2O4
Mass
354.406
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 Piperidines Benzenoids Trialkyl amine oxides Pyrroles Heteroaromatic compounds Methyl esters Trisubstituted amine oxides and derivatives Azacyclic compounds Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic zwitterions Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Vallesaman-skeleton - 3-alkylindole - Indole - Indole or derivatives - Piperidine - Benzenoid - Trialkyl amine oxide - Heteroaromatic compound - Pyrrole - Methyl ester - Carboxylic acid ester - N-oxide - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Trisubstituted n-oxide - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organic salt - Organic zwitterion - 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