Compound Identification
SMILES
[I-].COC(=O)[C@]12CC3=C(C(O)C[C@H]1[C@H](C[N+](C)=C2)C(C)O)N(C)C1=CC=CC=C31
InChIKey
InChIKey=XSTINHSYYDCSIE-BCDGJHEPSA-M
Formula
C22H29IN2O4
Mass
512.388
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 N-alkylindoles Tetrahydropyridines Benzenoids N-methylpyrroles Heteroaromatic compounds Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic iodide salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ervatamia skeleton - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Tetrahydropyridine - N-methylpyrrole - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Secondary alcohol - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic salt - Organic iodide salt - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - 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