Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC1=CC=CC2=CC3=C(C(O)=C12)C(=O)C1=C(C[C@](O)(C[C@@H]1O[C@@H]1C[C@@H]([NH3+])[C@@H](O)[C@@H](C)O1)C(C)=O)C3=O

InChIKey

InChIKey=MQLOAFLOCKQLMX-BYIWVQAZSA-N

Formula

C27H30ClNO9

Mass

547.99

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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 - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Hydroxyanthraquinone - Hexose monosaccharide - Glycosyl compound - 1-naphthol - O-glycosyl compound - Naphthalene - Aryl ketone - Anisole - Quinone - Alkyl aryl ether - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Secondary alcohol - 1,2-aminoalcohol - Ketone - Acetal - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Aldehyde - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic chloride salt - Organic nitrogen compound - Amine - Alcohol - Organic zwitterion - Hydrocarbon derivative - Organic salt - Primary aliphatic 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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