Compound Identification
SMILES
COC1CC(OC2C(C)OC(CC2(C)[N+]([O-])=O)OC2C(C)OC(CC2O)OC2C(C(O)C3OC4=C5C(=O)C6=CC7=C(C(CC(C)(O)C7C(=O)OC)OC7CC(OC)C(OC8CC(O)C(OC9CC(OC)C(OC%10CC(OC)C(OC(=O)\C=C\C(O)=O)C(C)O%10)C(C)O9)C(C)O8)C(C)O7)C(O)=C6C(=O)C5=C(O)C=C4C2(C)O3)N(C)C)OC(C)C1O
InChIKey
InChIKey=MWGPOKWHXRTZII-VHEBQXMUSA-N
Formula
C80H112N2O37
Mass
1693.753
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
Oligosaccharides Tetracenequinones Aminoglycosides Anthracenecarboxylic acids Anthraquinones Naphthalenecarboxylic acids and derivatives O-glycosyl compounds Tetralins Tricarboxylic acids and derivatives Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Fatty acid esters Oxanes Vinylogous acids Tertiary alcohols Enoate esters Methyl esters Amino acids Trialkylamines 1,2-aminoalcohols Secondary alcohols C-nitro compounds Carboxylic acids Organic oxoazanium compounds Oxacyclic compounds Dialkyl ethers Polyols Acetals Propargyl-type 1,3-dipolar organic compounds Aldehydes Organic salts Organic zwitterions Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Oligosaccharide - Tetracenequinone - Aminoglycoside core - Anthracene carboxylic acid or derivatives - Anthracene carboxylic acid - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Tetralin - Tricarboxylic acid or derivatives - Aryl ketone - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Amino saccharide - Oxane - Fatty acyl - Benzenoid - Vinylogous acid - Tertiary alcohol - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - C-nitro compound - Carboxylic acid ester - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary alcohol - Organic nitro compound - 1,2-aminoalcohol - Ketone - Amino acid - Acetal - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Dialkyl ether - Ether - Polyol - Organic oxoazanium - Amine - Aldehyde - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Alcohol - Organooxygen compound - Organonitrogen compound - Organic salt - 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