Structure Information
Structure

Compound Identification

SMILES

COC1C(C)OC(O[C@@H]2C[C@@](C)(O)CC3=C2C(O)=C2C(=O)C4=C(O)C=C5C(OC6OC5(C)[C@@H](O)[C@@H]([C@H]6O)N(C)C)=C4C(=O)C2=C3)C(OC)C1(C)OC

InChIKey

InChIKey=NNEGMXMRXKXKMQ-KFBXHNEYSA-N

Formula

C37H47NO14

Mass

729.776

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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 - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Tertiary alcohol - Tertiary aliphatic amine - 1,2-aminoalcohol - Tertiary amine - Secondary alcohol - Ketone - Organoheterocyclic compound - Acetal - Polyol - Dialkyl ether - Ether - Oxacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Alcohol - Aldehyde - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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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