Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C3=C1O)C(\C)=N/NP(=O)(OC1=CC=CC=C1)N(CCCl)CCCl)C2=O

InChIKey

InChIKey=ITKUNYWQZVWRKO-UQRYWOQMSA-N

Formula

C37H43Cl2N4O11P

Mass

821.64

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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 - Aryl ketone - Anisole - Phenoxy compound - Nitrogen mustard - Amino saccharide - Alkyl aryl ether - Benzenoid - Organic phosphoric acid amide - Monocyclic benzene moiety - Monosaccharide - Organic phosphoric acid derivative - Oxane - Phosphoric acid ester - Vinylogous acid - Tertiary alcohol - 1,2-aminoalcohol - Secondary alcohol - Ketone - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Primary amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Aldehyde - Organic nitrogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl chloride - Alkyl halide - Organohalogen 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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