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]5[C@@H](OCN6CN5COC5[C@H](C)O[C@H](C[C@H]65)O[C@H]5C[C@@](O)(CC6=C(O)C7=C(C(O)=C56)C(=O)C5=C(C=CC=C5OC)C7=O)C(=O)CO)[C@@H](C)O4)C3=C1O)C(=O)CO)C2=O

InChIKey

InChIKey=LNMUJUHEUYMBOT-QYBNAWRNSA-N

Formula

C57H58N2O22

Mass

1123.083

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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 - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Monosaccharide - Oxane - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Vinylogous acid - Hemiaminal - Ketone - Acetal - Aminal - Oxacycle - Ether - Polyol - Organoheterocyclic compound - Azacycle - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Aldehyde - Alcohol - Organic oxygen 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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