Structure Information
Structure

Compound Identification

SMILES

COC1CC(OC2C(C)OC(CC2(C)N=O)OC2C(C)OC(CC2O)OC2C(C)OC(CC2O)O[C@H]2C[C@@](C)(O)[C@H](C(=O)OC)C3=C2C(O)=C2C(=O)C4=C(O)C=C5C(C[C@H]6C[C@@H]([C@H](OC7CC(O)C(OC8CC(C)(N=O)C(OC9CC(O)C(O)C(C)O9)C(C)O8)C(C)O7)[C@]5(C)O6)N(C)C)=C4C(=O)C2=C3)OC(C)C1OC(=O)C(\C)=C\C(O)=O

InChIKey

InChIKey=BYKZIESBUJUBPO-DQCTYACXSA-N

Formula

C80H111N3O34

Mass

1658.755

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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 - Oligosaccharide - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Naphthopyran - 1-naphthalenecarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzopyran - Isochromane - Tetralin - 2-benzopyran - Tricarboxylic acid or derivatives - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Fatty acyl - Benzenoid - Oxane - Pyran - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Enoate ester - Methyl ester - Secondary alcohol - Ketone - Carboxylic acid ester - Amino acid - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Acetal - Organic nitroso compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - C-nitroso compound - Carboxylic acid derivative - Polyol - Carboxylic acid - Dialkyl ether - Ether - Alcohol - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Amine - Organooxygen 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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