Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)CNC(=O)CN(C)C)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O

InChIKey

InChIKey=ZVPGKONLVQAMJZ-SGLHZKEVSA-N

Formula

C33H40ClN3O12

Mass

706.14

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