Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(NC3=C2CCNC3C2=CC(CN3CCN(CC3)C3=CC=C(F)C=C3)=C(OC)C=C2)C=C1

InChIKey

InChIKey=AYLWCNKBMCMEMF-UHFFFAOYSA-N

Formula

C30H33FN4O2

Mass

500.618

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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 - Phenylpiperazine - N-arylpiperazine - 3-alkylindole - Indole or derivatives - Indole - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenylmethylamine - Phenol ether - Anisole - Phenoxy compound - Tertiary aliphatic/aromatic amine - Benzylamine - N-alkylpiperazine - Halobenzene - Aralkylamine - Fluorobenzene - Alkyl aryl ether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organohalogen compound - Amine - Organooxygen compound - Organonitrogen 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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