Compound Identification
SMILES
CCC1(O)CC(OC2CC(=O)C(OC3CC(O)C(OC4OC(C)C(=O)C=C4)C(C)O3)C(C)O2)C2=C(O)C3=C(C=C2C1C(=O)OC)C(=O)C1=C(C(O)=CC=C1)C3=O
InChIKey
InChIKey=UYCZDXZKNLNYST-UHFFFAOYSA-N
Formula
C40H44O16
Mass
780.776
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 O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Dihydropyranones Oxanes Monosaccharides Methyl esters Vinylogous acids Tertiary alcohols Cyclic ketones Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Dihydropyranone - Benzenoid - Monosaccharide - Oxane - Pyran - Tertiary alcohol - Methyl ester - Vinylogous acid - Ketone - Cyclic ketone - Carboxylic acid ester - Secondary alcohol - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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