Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](NC(=O)OCC4=CC(=C(O[C@@H]5O[C@H](C(O)C(O)=O)[C@H](O)[C@H]5O)C=C4)[N+]([O-])=O)[C@H](O)[C@H](C)O3)C(=O)CO)C=C1C2=O

InChIKey

InChIKey=GOFYSJYNZQDXSR-DRQWGHAFSA-N

Formula

C41H42N2O21

Mass

898.78

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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 - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Phenolic glycoside - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Benzyloxycarbonyl - Nitrobenzene - Phenol ether - Nitroaromatic compound - Phenoxy compound - Aryl ketone - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Alpha-hydroxy acid - Monosaccharide - Oxane - Hydroxy acid - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Oxolane - Tertiary alcohol - Vinylogous acid - Carbamic acid ester - Organic nitro compound - Secondary alcohol - Ketone - C-nitro compound - Acetal - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alcohol - Organic zwitterion - Primary alcohol - Organooxygen compound - Aldehyde - Organonitrogen compound - Organic salt - 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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