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](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC5=CC=C(O)C=C5)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCN5C(=O)C=CC5=O)[C@@H](O)[C@@H](C)O4)C3=C1O)C(=O)CO)C2=O

InChIKey

InChIKey=VBVLFRLLZXQMJE-RWCSWBATSA-N

Formula

C73H88N10O28

Mass

1553.549

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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 - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - Tyrosine or derivatives - Phenylalanine or derivatives - 1,4-anthraquinone - 9,10-anthraquinone - Glutamine or derivatives - Asparagine or derivatives - Anthracene - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - O-glycosyl compound - Glycosyl compound - N-substituted-alpha-amino acid - Tetralin - Amphetamine or derivatives - Alpha-amino acid or derivatives - Aryl ketone - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Maleimide - Monosaccharide - N-acyl-amine - Fatty acyl - Benzenoid - Carboxylic acid imide, n-substituted - Fatty amide - Monocyclic benzene moiety - Oxane - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Carboxylic acid imide - Dicarboximide - Pyrroline - Ketone - Primary carboxylic acid amide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Polyol - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Alcohol - Aldehyde - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Organopnictogen compound - 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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