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)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CCC(O)=O)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=UJIAYNNJUPNHKA-OIJPWTSLSA-N
Formula
C42H52N4O17
Mass
884.889
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 N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Monosaccharides N-acyl amines Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Secondary alcohols Secondary carboxylic acid amides Acetals Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Polyols Aldehydes Organopnictogen compounds Hydrocarbon derivatives Primary alcohols Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Glycosyl compound - O-glycosyl compound - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - N-acyl-amine - Fatty acyl - Fatty amide - Oxane - Monosaccharide - Benzenoid - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Primary alcohol - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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