Structure Information
Structure

Compound Identification

SMILES

CC1CC(=O)C2=C(C1)C=CC1=C2C(=O)C2=C(C(OC(C)=O)=CC=C2)C1=O

InChIKey

InChIKey=SNCFGQUGWSZBOM-UHFFFAOYSA-N

Formula

C21H16O5

Mass

348.354

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Angucyclines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Angucyclines

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Angucycline core - 9,10-anthraquinone - Anthraquinone - Anthracene - Phenanthrene - Tetralin - Aryl alkyl ketone - Aryl ketone - Benzenoid - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as angucyclines. These are polyketides with a structure based on then benz[a]anthracene skeleton, with the particularity that the central ring of the anthracene moiety is a para-quinone.

External Descriptors

Not available

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