Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](N1)C1=CC=CC=C1

InChIKey

InChIKey=ZJSUEWDIHUPPRO-HOTGVXAUSA-N

Formula

C18H16N2O2

Mass

292.338

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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 - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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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