Structure Information
Structure

Compound Identification

SMILES

Cl.CCOC(OCC)C(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(N)C(O)C(C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=C(C(OC)=CC=C1)C3=O

InChIKey

InChIKey=PJODMULXZJQLDJ-IQERGXPZSA-N

Formula

C33H40ClNO14

Mass

710.13

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