Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)OCC5=CC(NC(=O)C(F)(F)F)=C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C=C5)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O

InChIKey

InChIKey=VVUODJXNWGIFNA-PEARUVMNSA-N

Formula

C43H43F3N2O21

Mass

980.805

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Anthracyclines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Anthracyclines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Phenolic glycoside - Anthracene - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzyloxycarbonyl - Tetralin - Anilide - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Aryl ketone - Beta-hydroxy acid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Pyran - Oxane - Vinylogous acid - Carbamic acid ester - Tertiary alcohol - Alpha-hydroxy ketone - Secondary alcohol - Secondary carboxylic acid amide - Ketone - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid - Acetal - Carboxylic acid derivative - Ether - Polyol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Aldehyde - Primary alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.

External Descriptors

Not available

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