Structure Information
Structure

Compound Identification

SMILES

COC1CC(OC2C(C)OC(CC2(C)[N+]([O-])=O)OC2C(C)OC(CC2O)OC2C(C(O)C3OC4=C5C(=O)C6=CC7=C(C(CC(C)(O)C7C(=O)OC)OC7CC(OC)C(OC8CC(O)C(OC9CC(OC)C(OC%10CC(OC)C(OC(=O)\C=C\C(O)=O)C(C)O%10)C(C)O9)C(C)O8)C(C)O7)C(O)=C6C(=O)C5=C(O)C=C4C2(C)O3)N(C)C)OC(C)C1O

InChIKey

InChIKey=MWGPOKWHXRTZII-VHEBQXMUSA-N

Formula

C80H112N2O37

Mass

1693.753

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