Structure Information
Structure

Compound Identification

SMILES

CC(=O)N1CCC2=C(NC3=C2C=C(Cl)C=C3)C11CCN(CCCOC2=CC=CC3=CC=CC=C23)CC1

InChIKey

InChIKey=GAABGCPMJOFZIX-UHFFFAOYSA-N

Formula

C30H32ClN3O2

Mass

502.06

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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 - Pyridoindole - Beta-carboline - Naphthalene - 3-alkylindole - Indole - Indole or derivatives - Phenol ether - Alkyl aryl ether - Aralkylamine - Aryl halide - Aryl chloride - Piperidine - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Acetamide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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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