Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C=C(C)NC1CC(OC2CC(O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(=O)CO)OC(C)C1O

InChIKey

InChIKey=VBMSIFVVWOBOHI-UHFFFAOYSA-N

Formula

C33H37NO13

Mass

655.653

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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 - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Fatty acid ester - Amino saccharide - Fatty acyl - Monosaccharide - Benzenoid - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous amide - Vinylogous acid - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Ketone - Polyol - Secondary amine - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Secondary aliphatic amine - Enamine - Ether - Monocarboxylic acid or derivatives - Aldehyde - Hydrocarbon derivative - Organic oxide - Alcohol - Primary alcohol - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Amine - Organonitrogen compound - Organic oxygen compound - Organopnictogen 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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