Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(NC(=O)C(CC(C)C)NC(=O)CN)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O

InChIKey

InChIKey=BBILEIIIRGBRSA-UHFFFAOYSA-N

Formula

C35H43N3O12

Mass

697.738

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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-dipeptide - Tetracenequinone - Alpha peptide - 1,4-anthraquinone - 9,10-anthraquinone - Leucine or derivatives - Anthracene - N-acyl-alpha amino acid or derivatives - Hexose monosaccharide - Alpha-amino acid amide - O-glycosyl compound - Glycosyl compound - Tetralin - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Aryl ketone - Anisole - Alkyl aryl ether - Fatty acyl - Benzenoid - Oxane - N-acyl-amine - Monosaccharide - Fatty amide - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxamide group - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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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