Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(NC3=C2CCN(C(=O)CN2CCOCC2)C32CCN(CCOC3=CC=CC=C3)C2)C=C1

InChIKey

InChIKey=UELGHRCMZCOWTE-UHFFFAOYSA-N

Formula

C29H36N4O4

Mass

504.631

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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 or derivatives - 3-alkylindole - Indole or derivatives - Indole - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Morpholine - Monocyclic benzene moiety - Oxazinane - Benzenoid - N-alkylpyrrolidine - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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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