Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC2=C1NC1=C2CCN(C1C1=CC2=C(OCO2)C=C1)C(=O)\C=C\C1=CC=C(C=C1)C(O)=O

InChIKey

InChIKey=ADTATLNTDUPURA-KPKJPENVSA-N

Formula

C29H24N2O5

Mass

480.52

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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 - Cinnamic acid or derivatives - 3-alkylindole - Benzodioxole - Benzoic acid or derivatives - Benzoic acid - Indole - Indole or derivatives - Benzoyl - Styrene - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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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