Compound Identification
SMILES
CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(O[C@@H]4O[C@@H](C)C(=O)C=C4N)C(C)O3)C(C)O2)N(C)C)C2=C(C=C3C(=O)C4=C(O)C=CC(O)=C4C(=O)C3=C2O)[C@H]1C(=O)OC
InChIKey
InChIKey=GFEWKUPUJDGEKH-YAYISERDSA-N
Formula
C42H52N2O16
Mass
840.876
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 Anthracenecarboxylic acids Anthraquinones Naphthalenecarboxylic acids and derivatives Disaccharides O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Dihydropyranones Oxanes Vinylogous acids Tertiary alcohols Vinylogous amides Methyl esters Amino acids and derivatives Trialkylamines Secondary alcohols Cyclic ketones Polyols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Enamines Aldehydes Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - Aminoglycoside core - Anthracene carboxylic acid or derivatives - Anthracene carboxylic acid - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - Dihydropyranone - Pyran - Benzenoid - Oxane - Vinylogous amide - Vinylogous acid - Methyl ester - Tertiary alcohol - Tertiary aliphatic amine - Carboxylic acid ester - Cyclic ketone - Ketone - Tertiary amine - Amino acid or derivatives - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Organoheterocyclic compound - Enamine - Oxacycle - Polyol - Organic nitrogen compound - Carbonyl group - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aldehyde - Alcohol - 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