Compound Identification
SMILES
C[C@H]1O[C@@H](CC2=CC[C@@H]3[C@H](C2)C(=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=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=DGRZSTGBYMVJSI-XGWNXFCUSA-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 Nitrobenzoic acids and derivatives Tetralins Benzoic acid esters Naphthalenes Nitrobenzenes Quinones Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Oxepanes Oxanes Monosaccharides Secondary carboxylic acid amides Carboxylic acid esters 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 - 9,10-anthraquinone - 1,4-anthraquinone - Nitrobenzoate - Benzoate ester - Naphthalene - Tetralin - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Quinone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Oxepane - Monosaccharide - Benzenoid - Oxane - Monocyclic benzene moiety - Secondary carboxylic acid amide - Ketone - Carboxylic acid ester - C-nitro compound - Carboxamide group - Organic nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Oxirane - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic salt - Organohalogen 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