Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1[C@@H](O)N(CCN1C(=O)OCC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)C(O)[C@H]2O)C(O)=O)C=C1)[C@@H]1C[C@H](C)O[C@H](C1)O[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(=O)CO

InChIKey

InChIKey=BHDCERSRYHTPRH-MTXFJJCASA-N

Formula

C46H52N2O21

Mass

968.915

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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 - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Phenolic glycoside - O-glucuronide - Anthracene - 1-o-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzyloxycarbonyl - Tetralin - Piperazine-1-carboxylic acid - Aryl ketone - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Beta-hydroxy acid - N-alkylpiperazine - Pyran - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Oxane - Hydroxy acid - Monosaccharide - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Carbamic acid ester - Vinylogous acid - Ketone - Hemiaminal - Secondary alcohol - Alkanolamine - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Acetal - Oxacycle - Polyol - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Primary alcohol - Organonitrogen compound - Organooxygen 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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