Compound Identification
SMILES
COC(=O)[C@@]12CN(C)C[C@H]([C@@H](C)OS(C)(=O)=O)[C@@H]1CC(=O)C1=C(C2)C2=CC=CC=C2N1
InChIKey
InChIKey=MHABUWMOCSGYRP-LTSIINAVSA-N
Formula
C22H28N2O6S
Mass
448.53
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 Piperidinecarboxylic acids Aryl alkyl ketones Aralkylamines Sulfonic acid esters Organosulfonic acid esters Benzenoids Sulfonyls Pyrroles Heteroaromatic compounds Methanesulfonates Methyl esters Trialkylamines Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ervatamia skeleton - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Aryl alkyl ketone - Aryl ketone - Aralkylamine - Piperidine - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Methanesulfonate - Pyrrole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Methyl ester - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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