Structure Information
Structure

Compound Identification

SMILES

CN1C2=CC=CC=C2C2=C1[C@@H](CC13CC4CC(CC(C4)C1)C3)N([C@@H](C2)C(=O)OCC1=CC=CC=C1)C(C)=O

InChIKey

InChIKey=IPYXTJHEZZPBQI-BCRUDVERSA-N

Formula

C33H38N2O3

Mass

510.678

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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 - Alpha-amino acid ester - Pyridoindole - Beta-carboline - Alpha-amino acid or derivatives - 3-alkylindole - N-alkylindole - Benzyloxycarbonyl - Indole - Indole or derivatives - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - N-methylpyrrole - Tertiary carboxylic acid amide - Pyrrole - Acetamide - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - 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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