Compound Identification
SMILES
COC(=O)C=C(NC1CC(OC2CC(O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(C)=O)OC(C)C1O)C(=O)OC
InChIKey
InChIKey=PEWQFYPYIQLFSN-UHFFFAOYSA-N
Formula
C33H35NO14
Mass
669.636
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
Tetracenequinones Aminoglycosides Anthraquinones Hexoses O-glycosyl compounds Alpha amino acids and derivatives Tetralins Anisoles Aryl ketones Alkyl aryl ethers Fatty acid esters Oxanes Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Alpha-hydroxy ketones Vinylogous acids Enoate esters Tertiary alcohols Secondary alcohols 1,2-aminoalcohols Enamines Oxacyclic compounds Polyols Acetals Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Organic oxides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Alpha-amino acid or derivatives - Tetralin - Anisole - Aryl ketone - Fatty acid ester - Amino saccharide - Alkyl aryl ether - Dicarboxylic acid or derivatives - Fatty acyl - Oxane - Monosaccharide - Benzenoid - Alpha-hydroxy ketone - Vinylogous amide - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary alcohol - Secondary alcohol - Ketone - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary aliphatic amine - Secondary amine - Carboxylic acid derivative - Ether - Enamine - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Amine - Organonitrogen compound - Organooxygen compound - Aldehyde - Carbonyl group - 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