Compound Identification
SMILES
COC1C(O)C(O)C(C)OC1OC1C(C)OC(CC1(C)[N+]([O-])=O)OC1C(C(O)C2OC3=C(C=CC4=C3C(=O)C3=C(O)C5=C(CC(C)(O)C(OC)C5OC5OC(C)C(O)C(C)(O)C5OC)C=C3C4=O)C1(C)O2)N(C)C
InChIKey
InChIKey=CKNRABMFMHXCLO-UHFFFAOYSA-N
Formula
C50H68N2O22
Mass
1049.086
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 Anthraquinones O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Oxanes Vinylogous acids Tertiary alcohols Trialkylamines Secondary alcohols 1,2-aminoalcohols C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Polyols Acetals Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Organic zwitterions Organic salts Aldehydes Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Oligosaccharide - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Oxane - Benzenoid - Vinylogous acid - Tertiary alcohol - 1,2-aminoalcohol - Organic nitro compound - Ketone - C-nitro compound - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Polyol - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Acetal - Ether - Organic oxygen compound - Alcohol - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic salt - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - 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