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](C)NC(=O)[C@H](CCSC)NC(=O)CCCC(O)=O)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=KFQASFDTZRRPJJ-ZXBNJKIYSA-N
Formula
C46H60N4O17S
Mass
973.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Anthracyclines
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Anthracyclines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Anthracyclines
Alternative Parents
Oligopeptides Tetracenequinones Anthraquinones Leucine and derivatives Methionine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Monosaccharides Oxanes N-acyl amines Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Secondary alcohols Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Sulfenyl compounds Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Aldehydes Organopnictogen compounds Organonitrogen compounds Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Leucine or derivatives - Methionine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - O-glycosyl compound - Glycosyl compound - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Fatty amide - N-acyl-amine - Fatty acyl - Oxane - Monosaccharide - Benzenoid - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Carboxamide group - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Sulfenyl compound - Dialkylthioether - Ether - Carboxylic acid - Carboxylic acid derivative - Thioether - Organoheterocyclic compound - Acetal - Polyol - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - 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