Compound Identification
SMILES
C[C@H]1O[C@@H](CC2=CCC3C(C2)C(=O)C24OC2(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=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KRFDUIGUBVNWDX-XYYXBMLRSA-N
Formula
C34H27F3N2O11
Mass
696.588
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 Nitrobenzenes Quinones Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Oxepanes Oxanes Monosaccharides Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Epoxides Organic oxoazanium compounds Alkyl fluorides Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic salts Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Alkyl-phenylketone - Tetralin - Naphthalene - Phenylketone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Quinone - Aryl alkyl ketone - Aryl ketone - Oxepane - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Alpha-hydroxy ketone - Tertiary alcohol - Secondary carboxylic acid amide - Ketone - C-nitro compound - Organic nitro compound - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organic salt - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alcohol - Organic zwitterion - Organooxygen compound - Organohalogen compound - Alkyl fluoride - Organofluoride - Organonitrogen 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