Structure Information
Structure

Compound Identification

SMILES

CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H]1C[C@H](O[C@H]2C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(=O)CO)O[C@@H](C)[C@H]1O

InChIKey

InChIKey=DGPUTUPTBLFABB-AIUCNRMHSA-N

Formula

C61H81N9O22

Mass

1292.36

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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 - Alpha-oligopeptide - Tetracenequinone - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Glutamine 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 - Alpha-amino acid or derivatives - Amphetamine or derivatives - Tetralin - Anisole - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Fatty acyl - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - Oxane - Benzenoid - Alpha-hydroxy ketone - Vinylogous acid - Acetamide - Tertiary alcohol - Amino acid or derivatives - Ketone - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid derivative - Polyol - Primary amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Primary aliphatic amine - Amine - Alcohol - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aldehyde - Primary alcohol - 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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