Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(N=C(N)CCSSCCC(N)=NC5CC(O[C@H]6C[C@@](O)(CC7=C(O)C8=C(C(O)=C67)C(=O)C6=C(C=CC=C6OC)C8=O)C(C)=O)OC(C)C5O)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O

InChIKey

InChIKey=BGPOORDCRUILQW-JOIIPRQPSA-N

Formula

C60H66N4O20S2

Mass

1227.32

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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 - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Oxane - Benzenoid - Monosaccharide - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Secondary alcohol - Dialkyldisulfide - Organic disulfide - Ketone - Acetal - Amidine - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid amidine - Ether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Polyol - Organic oxygen compound - Carbonyl group - Alcohol - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - 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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