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Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1(CO)C2CC3C4=C(CC1[N+]3([O-])CC2=CC)C1=CC=CC=C1N4

InChIKey

InChIKey=ATIZKZWYIGEWST-UHFFFAOYSA-N

Formula

C21H24N2O4

Mass

368.433

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Macroline alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Macroline alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Macroline skeleton - Corynanthean skeleton - Vobasan skeleton - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Quinuclidine - Beta-hydroxy acid - Hydroxy acid - Piperidine - Benzenoid - Methyl ester - Heteroaromatic compound - Pyrrole - Trialkyl amine oxide - Carboxylic acid ester - Trisubstituted n-oxide - N-oxide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Organic oxide - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as macroline alkaloids. These are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids.

External Descriptors

Not available

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