Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1C2=C([C@H](C[C@]1(O)CC(C)=O)O[C@H]1C[C@@H]([C@H](O[C@H]3C[C@@H]4O[C@H]5CC(=O)[C@H](C)O[C@H]5O[C@@H]4[C@H](C)O3)[C@H](C)O1)N(C)C)C(O)=C1C(=O)C3=C(C=CC=C3O)C(=O)C1=C2

InChIKey

InChIKey=DONDQYGRHMLYMF-YVPSEDBZSA-N

Formula

C43H51NO16

Mass

837.872

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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 - Aminoglycoside core - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Pyranodioxin - Aryl ketone - Amino saccharide - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy ketone - Oxane - Benzenoid - Para-dioxane - Methyl ester - Vinylogous acid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Cyclic ketone - Ketone - Dialkyl ether - Polyol - Oxacycle - Ether - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Aldehyde - Alcohol - 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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