Compound Identification
SMILES
CC1OC(CC(N)C1OCC1=CC=C(F)C=C1)O[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=CC=CC=C1C3=O)C(C)=O
InChIKey
InChIKey=PGLLQBKXSHHISZ-UYMQUTLSSA-N
Formula
C33H32FNO9
Mass
605.615
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 Aminoglycosides Anthraquinones Hexoses O-glycosyl compounds Tetralins Benzylethers Aryl ketones Fluorobenzenes Aryl fluorides Oxanes Tertiary alcohols Vinylogous acids Alpha-hydroxy ketones Oxacyclic compounds Dialkyl ethers Polyols Acetals Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Benzylether - Aryl ketone - Fluorobenzene - Amino saccharide - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Ketone - Polyol - Oxacycle - Acetal - Ether - Dialkyl ether - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Aldehyde - Alcohol - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - 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