Structure Information
Structure

Compound Identification

SMILES

C[C@H]1O[C@H](C[C@H]2O[C@H]3CC(=O)[C@H](C)O[C@H]3O[C@H]12)C1=C(O)C2=C(C=C1)C(=O)C1=C(C=CC3=C1C(=O)C[C@](C)(O)C3)C2=O

InChIKey

InChIKey=IVVLBSCKLIYBCU-GEMPFEMJSA-N

Formula

C31H30O10

Mass

562.571

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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 heteropolycyclic compounds

Substituents

Angucycline core - 9,10-anthraquinone - Anthraquinone - Phenanthrol - Anthracene - Phenanthrene - Pyranodioxin - Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Para-dioxane - Benzenoid - Oxane - Vinylogous acid - Tertiary alcohol - Cyclic ketone - Ketone - Acetal - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic 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

CHEBI:66404 : C-glycosyl compound - angucycline antibiotic

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