Structure Information
Structure

Compound Identification

SMILES

FC(F)(F)OC1=CC=C(\C=C\C(=O)N2CCC3=C(NC4=CC=CC=C34)C2C2=CC3=C(OCO3)C=C2)C=C1

InChIKey

InChIKey=ZKIHKJZVZAEXCV-KPKJPENVSA-N

Formula

C28H21F3N2O4

Mass

506.481

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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 - Beta-carboline - Pyridoindole - Cinnamic acid or derivatives - 3-alkylindole - Benzodioxole - Indole - Indole or derivatives - Phenoxy compound - Styrene - Phenol ether - Monocyclic benzene moiety - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Trihalomethane - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Halomethane - Alkyl fluoride - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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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