Compound Identification
SMILES
[I-].COC(=O)[C@]12CC3=C(NC4=CC=CC=C34)C(O)C[C@H]1[C@H](C[N+](C)=C2)[C@@H](C)O
InChIKey
InChIKey=IZDZWMDGIBARKU-AVRHPPKNSA-M
Formula
C21H27IN2O4
Mass
498.361
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Ervatamia alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ervatamia alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Ervatamia alkaloids
Alternative Parents
3-alkylindoles Tetrahydropyridines Benzenoids Pyrroles Heteroaromatic compounds Methyl esters Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic iodide salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ervatamia skeleton - 3-alkylindole - Indole - Indole or derivatives - Tetrahydropyridine - Benzenoid - Pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic iodide salt - Alcohol - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ervatamia alkaloids. These are alkaloids with a structure based on the tetracyclic ervatamia skeleton, which arises from the 5,6- bond cleavage and 6,16- bond formation in the vobasine skeleton.
External Descriptors
Not available