Compound Identification
SMILES
COC1CC(OC2C(C)OC(CC2(C)[N+]([O-])=O)OC2C(C)OC(CC2(C)[N+]([O-])=O)OC2C(C(O)C3OC4=C(C=CC5=C4C(=O)C4=C(C(O)=C6C(CC(C)(O)CC6=C4O)OC4CC(C(O)C(C)O4)N(C)C)C5=O)C2(C)O3)N(C)C)OC(C)C1OC(=O)CCC(O)=O
InChIKey
InChIKey=REJZVZSFWFSPHT-UHFFFAOYSA-N
Formula
C60H82N4O26
Mass
1275.318
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 esters Oxanes Dicarboxylic acids and derivatives Vinylogous acids Tertiary alcohols 1,2-aminoalcohols Amino acids Trialkylamines Secondary alcohols C-nitro compounds Carboxylic acid esters Dialkyl ethers Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Acetals Polyols Oxacyclic 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 - Oxane - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Tertiary alcohol - Vinylogous acid - Tertiary aliphatic amine - C-nitro compound - Organic nitro compound - Tertiary amine - Secondary alcohol - Amino acid - 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 - Carboxylic acid - 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 nitrogen compound - Organic zwitterion - Alcohol - Amine - Organooxygen compound - Organonitrogen 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