Structure Information
Structure

Compound Identification

SMILES

[2H][C@@]1(N(CC(C)(C)F)[C@H](C)CC2=C1NC1=CC=CC=C21)C1=C(F)C=C(\C=C\C(O)=O)C=C1F

InChIKey

InChIKey=DFBDRVGWBHBJNR-OHPOHGLYSA-N

Formula

C25H25F3N2O2

Mass

443.488

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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 - Cinnamic acid or derivatives - Cinnamic acid - 3-alkylindole - Indole or derivatives - Indole - Styrene - Aralkylamine - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - Pyrrole - Heteroaromatic compound - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - 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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