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](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)CCCC(O)=O)C5CCCCC5)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O

InChIKey

InChIKey=CZXGBIFEWYVYJY-NPLULESDSA-N

Formula

C65H89N9O25

Mass

1396.465

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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 - Anthracycline - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Glutamine or derivatives - Leucine or derivatives - Anthracene - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - Glycosyl compound - O-glycosyl compound - Alanine or derivatives - Alpha-amino acid or derivatives - Tetralin - N-substituted-alpha-amino acid - Aryl ketone - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Anisole - Alkyl aryl ether - Fatty acyl - Fatty amide - Benzenoid - Monosaccharide - N-acyl-amine - Oxane - Pyrrolidine - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Tertiary carboxylic acid amide - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Ketone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Polyol - Oxacycle - Azacycle - Acetal - Organoheterocyclic compound - Organic oxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aldehyde - Organooxygen compound - Alcohol - Organic nitrogen 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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