Compound Identification
SMILES
COC1CC(OC2C(C)OC(CC2(C)N(=O)=O)OC2C(C)OC(CC2(C)N(=O)=O)OC2C(C(O)C3Oc4c(ccc5C(=O)c6c(O)c7C(CC(C)(O)Cc7c(O)c6C(=O)c45)OC4CC(C(O)C(C)O4)N(C)C)C2(C)O3)N(C)C)OC(C)C1OC(=O)CCC(=O)OC
InChIKey
InChIKey=TYAJCTJLRFKDHW-UHFFFAOYSA-N
Formula
C61H84N4O26
Mass
1289.345
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 Disaccharides O-glycosyl compounds Tetralins Aryl ketones Aralkylamines Fatty acid methyl esters Oxanes Dicarboxylic acids and derivatives Vinylogous acids Tertiary alcohols Methyl esters 1,2-aminoalcohols Amino acids and derivatives Trialkylamines Secondary alcohols C-nitro compounds Oxacyclic compounds Dialkyl ethers Acetals Polyols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Disaccharide - Tetralin - Aryl ketone - Fatty acid ester - Aralkylamine - Amino saccharide - Fatty acid methyl ester - Oxane - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous acid - Tertiary alcohol - Methyl ester - Tertiary aliphatic amine - C-nitro compound - Tertiary amine - Secondary alcohol - Organic nitro compound - 1,2-aminoalcohol - Carboxylic acid ester - Ketone - Amino acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Ether - Polyol - Organic oxoazanium - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Amine - 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