Structure Information
Structure

Compound Identification

SMILES

CCCCC(=O)SCC(=O)[C@@]1(O)C[C@H](OC2CC(N)C(O)C(C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=C(C3=O)C(OC)=CC=C1

InChIKey

InChIKey=MILKFEGXZHGXCC-KPQOZWHDSA-N

Formula

C32H37NO11S

Mass

643.7

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