Structure Information
Structure

Compound Identification

SMILES

[H]OC1=C2C(=O)C3=C(C([H])=C4C(=C3O[H])[C@@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(O[C@@]5([H])O[C@]([H])(C([H])([H])[H])[C@@]6([H])O[C@@]7([H])O[C@]([H])(C(=O)C([H])([H])[C@]7([H])O[C@@]6([H])C5([H])[H])C([H])([H])[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C3([H])[H])C([H])([H])[C@@](O[H])(C([H])([H])C(=O)C([H])([H])[H])[C@]4([H])C(=O)OC([H])([H])[H])C(=O)C2=C([H])C([H])=C1[H]

InChIKey

InChIKey=DONDQYGRHMLYMF-YUZAOWNQSA-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

Anthracyclinone-skeleton - Tetracenequinone - Aminoglycoside core - Anthracene carboxylic acid or derivatives - Anthracene carboxylic acid - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Tetralin - Pyranodioxin - Aryl ketone - Quinomethane - O-quinomethane - M-quinomethane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Amino saccharide - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Oxane - Beta-hydroxy ketone - Para-dioxane - Vinylogous acid - Alpha,beta-unsaturated ketone - Methyl ester - Tertiary alcohol - Enone - Cyclic alcohol - Acryloyl-group - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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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