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

InChIKey

InChIKey=QTPHIOFQEJSSDE-CUPWNDFTSA-N

Formula

C62H85N9O24

Mass

1340.401

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