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Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C=C2C(=O)C3=C(C(O)=CC4=CC(C)=C(Cl)C(C)=C34)C(=O)C2=C1O)C(=O)OC

InChIKey

InChIKey=CMYBCPQGIHZHRL-UHFFFAOYSA-N

Formula

C24H19ClO6

Mass

438.86

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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 - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - Anthraquinone - Phenanthrol - Anthracene - Phenanthrene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Chloronaphthalene - 2-naphthol - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Aryl chloride - Aryl halide - Methyl ester - Vinylogous acid - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - 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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