Structure Information
Structure

Compound Identification

SMILES

C[NH+]1CCC2=C(NC3=CC=CC=C23)[C@H]1CC(=O)C[C@@H]1[NH+](C)CCC2=C1NC1=CC=CC=C21

InChIKey

InChIKey=STCPBUYCVAARLB-PLQXJYEYSA-P

Formula

C27H32N4O

Mass

428.579

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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 - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Beta-aminoketone - Benzenoid - Heteroaromatic compound - Pyrrole - Quaternary ammonium salt - Tertiary amine - Ketone - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic cation - 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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