Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H]([NH3+])[C@H](O)[C@H](C)O4)C3=C1O)C(\CO)=N\NC(=O)CCN1C(=O)C=CC1=O)C2=O

InChIKey

InChIKey=YMRRNSYCRTWYSB-FNWPPTDXSA-N

Formula

C34H37ClN4O13

Mass

745.14

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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 - Aminoglycoside core - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Tetralin - Anisole - Aryl ketone - Amino saccharide - Maleimide - Alkyl aryl ether - Carboxylic acid imide, n-substituted - Oxane - Monosaccharide - Benzenoid - Vinylogous acid - Tertiary alcohol - Pyrroline - Carboxylic acid imide - Dicarboximide - Ketone - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Acetal - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Primary amine - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Aldehyde - Alcohol - Organic oxygen 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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