Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C(=O)C1=C(C(O)C3C[C@](O)(C[C@H](OC4CC(N)C(O)C(C)O4)C3C1O)C(=O)CO)C2=O

InChIKey

InChIKey=NMNGSTXLHKLQOA-RDIUERSDSA-N

Formula

C27H33NO11

Mass

547.557

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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 - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Naphthalene - Aryl ketone - Quinone - Anisole - Amino saccharide - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxane - Cyclic alcohol - Tertiary alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - 1,2-aminoalcohol - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Polyol - Organic oxide - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Amine - Primary amine - Organopnictogen compound - Alcohol - Hydrocarbon derivative - 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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