Compound Identification
SMILES
C[C@@H]1O[C@@H](C[C@H]2C=CC[C@H]3[C@@H]2C(=O)C2=C(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=BTPOVHZAMVFQOV-YMELAIQOSA-N
Formula
C34H28F3NO8
Mass
635.592
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 Benzoic acid esters Naphthalenes Quinones Aryl ketones Benzoyl derivatives Cyclohexenones Oxanes Monosaccharides Carboxylic acid esters Secondary carboxylic acid amides 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 - Benzoate ester - Naphthalene - Benzoic acid or derivatives - Benzoyl - Quinone - Aryl ketone - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Oxane - Monosaccharide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Organofluoride - Organic nitrogen compound - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Alkyl halide - Organic oxide - Organonitrogen compound - Organic oxygen compound - 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