Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)OC1=C(\C=N\NC2=NC(=O)C(CC(O)=O)S2)C=C(Br)C=C1

InChIKey

InChIKey=JUDYSKIKFRGNPR-LSHDLFTRSA-N

Formula

C20H16BrN3O6S

Mass

506.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Depsides and depsidones

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Depsides and depsidones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Depside backbone - P-methoxybenzoic acid or derivatives - Phenol ester - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Benzoyl - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Meta-thiazoline - N-acylimine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organobromide - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).

External Descriptors

Not available

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