Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CNC1CC(O[C@H]2C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(C)=O)OC(C)C1O

InChIKey

InChIKey=OTVLEINERQHWQO-NMJCGZPISA-N

Formula

C31H35NO12

Mass

613.616

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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 - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Alpha-amino acid ester - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Alpha-amino acid or derivatives - Aryl ketone - Anisole - Amino saccharide - Alkyl aryl ether - Oxane - Monosaccharide - Benzenoid - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Ketone - Secondary alcohol - Organoheterocyclic compound - Acetal - Oxacycle - Secondary amine - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Secondary aliphatic amine - Aldehyde - Organic nitrogen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Amine - 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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