Compound Identification
SMILES
CO[C@@H]1[C@H](C)O[C@H](C[C@@H]1NC(=O)C(F)(F)F)O[C@H]1C[C@](O)(CO)CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O
InChIKey
InChIKey=CXPRAFUUZIXMJQ-LUXTXUPTSA-N
Formula
C28H28F3NO10
Mass
595.524
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 O-glycosyl compounds Tetralins Aryl ketones Oxanes Monosaccharides Vinylogous acids Tertiary alcohols Secondary carboxylic acid amides 1,2-diols Oxacyclic compounds Acetals Dialkyl ethers Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Aldehydes Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Tertiary alcohol - 1,2-diol - Secondary carboxylic acid amide - Ketone - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Acetal - Polyol - Oxacycle - Ether - Primary alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aldehyde - Alcohol - 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