Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Ervatamia alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Ervatamia alkaloids

Alternative Parents

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

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