Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)COCC(=O)NCCNC(=O)COCC(=O)ON5C(=O)CCC5=O)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O

InChIKey

InChIKey=IHBADKOZEHVVHY-JYTNDPEWSA-N

Formula

C41H46N4O20

Mass

914.827

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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 - O-glycosyl compound - Glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Monosaccharide - Benzenoid - 2-pyrrolidone - Oxane - Pyrrolidone - Dicarboximide - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Pyrrolidine - Lactam - Ketone - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Polyol - Acetal - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - 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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