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@@H]1OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=BIJBAUASJNJFGL-YVBVVZLOSA-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 Tetralins Benzoic acid esters Naphthalenes Quinones Aryl alkyl ketones Benzoyl derivatives Beta-diketones Monosaccharides Oxanes Carboxylic acid esters Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Benzoate ester - Naphthalene - Tetralin - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Aryl ketone - Quinone - 1,3-diketone - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - 1,3-dicarbonyl compound - Secondary carboxylic acid amide - Carboxamide group - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organofluoride - Alkyl halide - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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