Compound Identification
SMILES
COC1C(OC2C(OC)C(C)(O)CC3=C2C(O)=C2C(=O)C4=C(C=CC5=C4OC4OC5(C)C(OC5CC(C)(C(OC6OC(C)C(O)C(C)(O)C6OC)C(C)O5)[N+]([O-])=O)C(C4O)N(C)C)C(=O)C2=C3)OC(C)C(O)C1(C)O
InChIKey
InChIKey=QYNAQIXCSIMIOO-UHFFFAOYSA-N
Formula
C51H70N2O22
Mass
1063.113
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 Dialkyl ethers Organic oxoazanium compounds Organopnictogen compounds Organic oxides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Oligosaccharide - Tetracenequinone - Aminoglycoside core - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Tetralin - Aryl ketone - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Benzenoid - Oxane - Vinylogous acid - Tertiary alcohol - 1,2-aminoalcohol - Ketone - C-nitro compound - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Organic nitro compound - Acetal - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Polyol - Organic oxoazanium - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen 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