Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.CCCCC1(CCCC)N[C@H](CC2=C1NC1=CC=CC=C21)C1=NC=C(N1)C1=CC=CC=C1

InChIKey

InChIKey=CTFHXYLKADFTKD-ZHWJIHCSSA-N

Formula

C32H38N4O4

Mass

542.68

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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

Not available

Substituents

Harman - Beta-carboline - Pyridoindole - 5-phenylimidazole - 4-phenylimidazole - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Fatty acid - Unsaturated fatty acid - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Azole - Pyrrole - Heteroaromatic compound - Imidazole - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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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