Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]1(O)C[C@H](O[C@H]2CC(NC(C)=O)[C@H](O)[C@H](C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=C(C(OC)=CC=C1)C3=O

InChIKey

InChIKey=QXCNPFYKPWAENQ-BYPDVNCASA-N

Formula

C29H31NO12

Mass

585.562

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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 - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Benzenoid - Oxane - Monosaccharide - Methyl ester - Acetamide - Tertiary alcohol - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Aldehyde - 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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