Compound Identification
SMILES
C[C@@H]1O[C@H](C[C@H](NC(=O)C(F)(F)F)[C@@H]1O)O[C@@H]1C[C@](O)(CC2=C1C=C1C(=O)C3=C(C=CC=C3O)C(=O)C1=C2O)C(C)=O
InChIKey
InChIKey=UPPPYAWEWSIWJF-OHNCXFMLSA-N
Formula
C28H26F3NO10
Mass
593.508
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 Anthraquinones Hexoses O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Alkyl fluorides Aldehydes Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Oxane - Benzenoid - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Ketone - Polyol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Acetal - Organonitrogen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alkyl halide - 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