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@@H]1OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=OYLUKSIRABBAIS-YZPNQNJSSA-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 Disaccharides Tetralins Benzoic acid esters Naphthalenes Quinones Aryl alkyl ketones Benzoyl derivatives Oxepanes Oxanes Carboxylic acid esters Secondary carboxylic acid amides Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Disaccharide - Benzoate ester - Naphthalene - Tetralin - Benzoic acid or derivatives - Benzoyl - Aryl ketone - Aryl alkyl ketone - Quinone - Oxepane - Benzenoid - Monocyclic benzene moiety - Oxane - Carboxylic acid ester - Ketone - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Oxirane - Oxacycle - Dialkyl ether - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Alkyl halide - Alkyl fluoride - Organohalogen compound - Organofluoride - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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