Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC[C@@H]1N([C@@H](CC2=C1N(C)C1=CC=CC=C21)C(=O)OC)C(=O)OCC1=CC=CC=C1

InChIKey

InChIKey=ACAPUHVITHFKLE-VXKWHMMOSA-N

Formula

C26H28N2O6

Mass

464.518

Export to:

JSON SDF CSV

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 - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - N-alkylindole - Benzyloxycarbonyl - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - N-methylpyrrole - Dicarboxylic acid or derivatives - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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

Previous Back Next