Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(N)C(O)C(C)O4)C3=C1O)C(=O)COC(=O)C1=CN=CC=C1)C2=O

InChIKey

InChIKey=XNPXCAQTDHPAQC-UHFFFAOYSA-N

Formula

C33H32N2O12

Mass

648.621

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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 - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Aryl ketone - Anisole - Amino saccharide - Alkyl aryl ether - Benzenoid - Pyridine - Monosaccharide - Oxane - Heteroaromatic compound - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - 1,2-aminoalcohol - Ketone - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Acetal - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Primary aliphatic amine - Organonitrogen compound - Alcohol - Organooxygen 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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