Compound Identification
SMILES
C[C@H]1O[C@@H](C[C@@H]2C=CC[C@@H]3[C@@H]2C(=O)[C@]24O[C@@]2(C3=O)C(=O)C2=CC=CC=C2C4=O)C[C@H](NC(=O)C(F)(F)F)[C@]1(O)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=FHIJNGOAHMFRHY-ZFMWGRGESA-N
Formula
C34H28F3NO9
Mass
651.591
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 Disaccharides Tetralins Naphthalenes Quinones Aryl alkyl ketones Benzoyl derivatives Oxepanes Oxanes Alpha-hydroxy ketones Tertiary alcohols Secondary carboxylic acid amides Epoxides Oxacyclic compounds Dialkyl ethers Organic oxides Organonitrogen compounds Hydrocarbon derivatives Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Alkyl-phenylketone - Disaccharide - Naphthalene - Tetralin - Phenylketone - Quinone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Oxepane - Oxane - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Alpha-hydroxy ketone - Ketone - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Dialkyl ether - Ether - Carboxylic acid derivative - Oxacycle - Oxirane - 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