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)CNC(=O)CN(C)C)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O

InChIKey

InChIKey=YETCVLRZRHJPFM-VTJVMDQPSA-N

Formula

C33H39N3O12

Mass

669.684

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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 - Hexose monosaccharide - Alpha-amino acid amide - Glycosyl compound - O-glycosyl compound - Tetralin - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxane - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Tertiary aliphatic amine - Ketone - Tertiary amine - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Polyol - Oxacycle - Acetal - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Alcohol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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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