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(CC1=CC=CC=C1)C1=CC=CC=C31
InChIKey
InChIKey=HHERHHCJONUBGL-WMUFSBAOSA-M
Formula
C28H33IN2O4
Mass
588.486
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 Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic iodide salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ervatamia skeleton - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Tetrahydropyridine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - 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 - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic iodide salt - Carbonyl group - Organic salt - Alcohol - 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