Structure Information
Structure

Compound Identification

SMILES

COC1=C(C2=C(C=C1)C1=C(N2)C(C)N(CC1)S(=O)(=O)C1=CC=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=YHCVCRGGXONBCN-UHFFFAOYSA-N

Formula

C19H19N3O5S

Mass

401.44

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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

Harmaline - Harman - Pyridoindole - Beta-carboline - 3-alkylindole - Benzenesulfonamide - Indole or derivatives - Indole - Methoxyaniline - Benzenesulfonyl group - Phenol ether - Anisole - Nitroaromatic compound - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic zwitterion - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - 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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