Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=NC=C(OC)C2=C1NC1=C2C=CC=C1OS(=O)(=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=ZFRKSFFIKMQUNN-UHFFFAOYSA-N

Formula

C21H18N2O6S

Mass

426.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Harmala alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Harmala alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Harman - Pyridoindole - Beta-carboline - 5-alkoxy-2-carboxypyrimidine - P-methylbenzenesulfonate - Benzenesulfonate ester - Benzenesulfonate - Tosyl compound - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Alkyl aryl ether - Toluene - Benzenoid - Organosulfonic acid ester - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Pyrrole - Organic sulfonic acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.

External Descriptors

Not available

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