Compound Identification
SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)C2=C(C=C3C(=O)C4=C(O)C=CC(O)=C4C(=O)C3=C2O)C1C(=O)OC
InChIKey
InChIKey=IKJUHXISEQVUTJ-GQTORWHTSA-N
Formula
C40H48O17
Mass
800.807
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 Anthracenecarboxylic acids Anthraquinones Naphthalenecarboxylic acids and derivatives Disaccharides O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Methyl esters Vinylogous acids Tertiary alcohols Cyclic ketones Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 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 - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Benzenoid - Tertiary alcohol - Vinylogous acid - Methyl ester - Secondary alcohol - Cyclic ketone - Ketone - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Aldehyde - 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