Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1O[C@H](C[C@H](NCC2=CC=C(N)C=C2)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=CC=CC=C1C3=O)C(C)=O

InChIKey

InChIKey=WFOVEJGXEMWRSR-XCTWYWSCSA-N

Formula

C33H34N2O9

Mass

602.64

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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 - Aniline or substituted anilines - Benzylamine - Aryl ketone - Phenylmethylamine - Aralkylamine - Amino saccharide - Primary aromatic amine - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Secondary alcohol - 1,2-aminoalcohol - Ketone - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Oxacycle - Acetal - Polyol - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Aldehyde - Alcohol - Organooxygen 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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