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)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=C(O)C=C5)NC(=O)[C@H](COCC5=CC=CC=C5)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O

InChIKey

InChIKey=UVHMQGGTGMFQGS-SGNRGUGSSA-N

Formula

C65H81N7O19

Mass

1264.393

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

Previous Back Next