Structure Information
Structure

Compound Identification

SMILES

C[C@H]1O[C@H](C[C@H](NC(=O)C(F)(F)F)[C@H]1O)O[C@H]1CC(O)(COC(=O)NC2=CC=C(Cl)C=C2)CC2=C(O)C3=C(C(O)=C12)C(=O)C1=CC=CC=C1C3=O

InChIKey

InChIKey=ZWEQXONHPLJMNB-FQPVCRMJSA-N

Formula

C34H30ClF3N2O11

Mass

735.06

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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 - Anthracene - Phenylcarbamic acid ester - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Carbamic acid ester - Tertiary alcohol - Vinylogous acid - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Alkyl fluoride - Carbonyl group - Aldehyde - Alcohol - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - 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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