Compound Identification
SMILES
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=VKLRFFMMGPQXKK-SNNYCZIESA-N
Formula
C28H33N2O4
Mass
461.581
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
N-alkylindoles 3-alkylindoles Tetrahydropyridines Substituted pyrroles Benzene and substituted derivatives Methyl esters Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ervatamia skeleton - 3-alkylindole - N-alkylindole - Indole - Indole or derivatives - Tetrahydropyridine - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Methyl ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Organic oxide - 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