Compound Identification
SMILES
C[C@H]1O[C@H](C[C@H](NC(=O)C(F)(F)F)[C@H]1O)O[C@H]1CC(O)(COC(=O)NC2=CC=C(Cl)C=C2)CC2=C(O)C3=C(C(O)=C12)C(=O)C1=CC=CC=C1C3=O
InChIKey
InChIKey=ZWEQXONHPLJMNB-FQPVCRMJSA-N
Formula
C34H30ClF3N2O11
Mass
735.06
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 Phenylcarbamic acid esters O-glycosyl compounds Tetralins Aryl ketones Chlorobenzenes Oxanes Aryl chlorides Monosaccharides Vinylogous acids Tertiary alcohols Carbamate esters Secondary carboxylic acid amides Secondary alcohols Acetals Polyols Oxacyclic compounds Organofluorides Organonitrogen compounds Organopnictogen compounds Alkyl fluorides Aldehydes Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Phenylcarbamic acid ester - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Carbamic acid ester - Tertiary alcohol - Vinylogous acid - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Alkyl fluoride - Carbonyl group - Aldehyde - Alcohol - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen 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