Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=DFXVWWSCINJNIZ-LLKBMLKJSA-N

Formula

C31H33NO14

Mass

643.598

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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 - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Fatty acyl - Fatty amide - Monosaccharide - N-acyl-amine - Oxane - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Vinylogous acid - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Monocarboxylic acid or derivatives - Polyol - Oxacycle - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Organonitrogen compound - Aldehyde - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organopnictogen compound - Alcohol - Organic oxide - 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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