Compound Identification
SMILES
C[C@H]1O[C@@H](C[C@@H]2C=CC[C@@H]3[C@@H]2C(=O)[C@@H]2[C@@H](C3=O)C(=O)C3=CC=CC=C3C2=O)C[C@H](NC(=O)C(F)(F)F)[C@]1(O)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=HVYHAMRKNCQWGD-UROKFRBRSA-N
Formula
C34H30F3NO8
Mass
637.608
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 Alkyl-phenylketones Tetralins Naphthalenes Aryl alkyl ketones Benzoyl derivatives Quinones Beta-diketones Monosaccharides Oxanes Alpha-hydroxy ketones Tertiary alcohols Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Alkyl-phenylketone - Naphthalene - Tetralin - Phenylketone - Benzoyl - Quinone - Aryl ketone - Aryl alkyl ketone - 1,3-diketone - 1,3-dicarbonyl compound - Oxane - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Tertiary alcohol - Alpha-hydroxy ketone - Secondary carboxylic acid amide - Carboxamide group - Ketone - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Alcohol - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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