Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)OC5=CC=C(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@@H](C)N)C=C5)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O

InChIKey

InChIKey=NQXFCCJGZZYUBD-IJAQDUOWSA-N

Formula

C52H62Cl2N6O16

Mass

1097.99

Export to:

JSON SDF CSV

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 - Tetracenequinone - Alpha peptide - Phenylalanine or derivatives - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Glycosyl compound - O-glycosyl compound - Alanine or derivatives - Tetralin - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Anilide - Phenoxy compound - Anisole - Aryl ketone - N-arylamide - Alkyl aryl ether - Benzenoid - Oxane - Fatty acyl - Monocyclic benzene moiety - Fatty amide - Monosaccharide - Carbamic acid ester - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Acetal - Polyol - Oxacycle - Primary aliphatic amine - Hydrochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Primary alcohol - Amine - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Primary amine - Organic nitrogen 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

Previous Back Next