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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)CCCC(O)=O)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O

InChIKey

InChIKey=KFQASFDTZRRPJJ-ZXBNJKIYSA-N

Formula

C46H60N4O17S

Mass

973.06

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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 - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Leucine or derivatives - Methionine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - O-glycosyl compound - Glycosyl compound - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Fatty amide - N-acyl-amine - Fatty acyl - Oxane - Monosaccharide - Benzenoid - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Carboxamide group - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Sulfenyl compound - Dialkylthioether - Ether - Carboxylic acid - Carboxylic acid derivative - Thioether - Organoheterocyclic compound - Acetal - Polyol - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur 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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