Structure Information
Structure

Compound Identification

SMILES

O=C1CCCN2[C@H]3[C@@]45C[C@@]2(CC1)O[C@@]31CC\C=C/CCCCN(CCC4C(=C1)C1=NC=CC2=C1NC1=CC=CC=C21)C5

InChIKey

InChIKey=XYMOBPPDZDVIQE-JUXCJWJFSA-N

Formula

C36H42N4O2

Mass

562.758

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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 - Azaspirodecane - Indole - Indole or derivatives - Oxane - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyridine - Heteroaromatic compound - Oxazolidine - Pyrrolidine - Pyrrole - Hemiaminal - Ketone - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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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