Structure Information
Structure

Compound Identification

SMILES

[H][C@@]1(C[C@]2([H])C(OC(C)=O)=CO[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]2([H])C=C)NCCC2=C1NC1=CC=CC=C21

InChIKey

InChIKey=OXAGNIAQEYWXSM-JJEHOMFVSA-N

Formula

C27H34N2O9

Mass

530.574

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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 - O-glycosyl compound - Glycosyl compound - 3-alkylindole - Indole or derivatives - Indole - Aralkylamine - Benzenoid - Monosaccharide - Oxane - Heteroaromatic compound - Enol ester - Pyrrole - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Acetal - Carboxylic acid derivative - Secondary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Polyol - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Alcohol - Primary alcohol - Organonitrogen compound - Organooxygen compound - Organopnictogen 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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