Structure Information
Structure

Compound Identification

SMILES

O=C1O[C@H]([C@@H]2N(CCC3=C2NC2=CC=CC=C32)\C=C2/OC(=O)C3=CC=CC=C23)C2=CC=CC=C12

InChIKey

InChIKey=GCABLUGXOGQONP-IJUWRAAOSA-N

Formula

C28H20N2O4

Mass

448.478

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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 - Benzofuranone - Isobenzofuranone - Phthalide - 3-alkylindole - Isocoumaran - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Enol ester - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Lactone - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Enamine - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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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