Compound Identification
SMILES
C[C@H]1O[C@@H](C[C@@H]2C=CC[C@@H]3[C@H]2C(=O)C2=C(C3=O)C(=O)C3=CC=CC=C3C2=O)C[C@H](NC(=O)C(F)(F)F)[C@H]1O
InChIKey
InChIKey=LXWWDMIKISJWRE-LXPOUCPTSA-N
Formula
C27H24F3NO7
Mass
531.484
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 Naphthalenes Quinones Aryl ketones Cyclohexenones Oxanes Monosaccharides Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Dialkyl ethers Alkyl fluorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Naphthalene - Aryl ketone - Quinone - Cyclohexenone - Monosaccharide - Oxane - Benzenoid - Carboxamide group - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Ether - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alkyl halide - 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