Compound Identification
SMILES
COC1C(OC2C(OC)C(C)(O)CC3=C2C(O)=C2C(=O)C4=C(C=CC5=C4OC4OC5(C)C(OC5CC(C)(N)C(OC6OC(C)C(O)C(C)(O)C6OC)C(C)O5)C(C4O)N(C)C)C(=O)C2=C3)OC(C)C(O)C1(C)O
InChIKey
InChIKey=SIBIUPQXDIJVOG-UHFFFAOYSA-N
Formula
C51H72N2O20
Mass
1033.131
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 Tertiary alcohols Vinylogous acids Secondary alcohols 1,2-aminoalcohols Trialkylamines Polyols Dialkyl ethers Acetals Oxacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Oligosaccharide - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Amino saccharide - Oxane - Benzenoid - Tertiary alcohol - Vinylogous acid - Secondary alcohol - Ketone - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Acetal - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Polyol - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organopnictogen compound - Primary aliphatic 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