Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(NC(=O)C(F)(F)F)C(O)C(C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=RQIOYWADAKTIJC-UHFFFAOYSA-N
Formula
C29H28F3NO12
Mass
639.533
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 Anisoles Aryl ketones Alkyl aryl ethers Oxanes Monosaccharides Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Acetals Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Primary alcohols Alkyl fluorides Organic oxides Organofluorides
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 - Anisole - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxane - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Ketone - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Ether - Oxacycle - Polyol - Hydrocarbon derivative - Carbonyl group - Alcohol - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Primary 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