Structure Information
Structure

Compound Identification

SMILES

OC(C(O)C(O)=O)C(O)=O.CC1=CC2=C(NC3=C2CCNC3CC2CCCCC2)C=C1

InChIKey

InChIKey=KKWOLZHSJVZAOF-UHFFFAOYSA-N

Formula

C23H32N2O6

Mass

432.517

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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 - 3-alkylindole - Indole or derivatives - Indole - Beta-hydroxy acid - Aralkylamine - Sugar acid - Short-chain hydroxy acid - Monosaccharide - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Fatty acid - Benzenoid - Hydroxy acid - Heteroaromatic compound - Pyrrole - Secondary alcohol - 1,2-diol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - 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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