Compound Identification
SMILES
COC(=O)[C@H]1O[C@@H](OC2=C(F)C=C(COC(=O)N[C@H]3C[C@H](O[C@H]4C[C@@](O)(CC5=C(O)C6=C(C(O)=C45)C(=O)C4=C(C=CC=C4OC)C6=O)C(=O)CO)O[C@@H](C)[C@H]3O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=NYJGPJJVCJSAQB-WZVZRTAUSA-N
Formula
C42H44FNO20
Mass
901.799
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 Phenolic glycosides O-glucuronides O-glycosyl compounds Benzyloxycarbonyls Tetralins Phenoxy compounds Anisoles Aryl ketones Alkyl aryl ethers Beta hydroxy acids and derivatives Fluorobenzenes Pyrans Oxanes Aryl fluorides Monosaccharides Alpha-hydroxy ketones Vinylogous acids Carbamate esters Methyl esters Tertiary alcohols Secondary alcohols Acetals Polyols Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds Primary alcohols Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Phenolic glycoside - Anthracene - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzyloxycarbonyl - Tetralin - Aryl ketone - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Hydroxy acid - Monosaccharide - Oxane - Methyl ester - Vinylogous acid - Carbamic acid ester - Tertiary alcohol - Alpha-hydroxy ketone - Ketone - Secondary alcohol - Carboxylic acid ester - Acetal - Monocarboxylic acid or derivatives - Polyol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Primary alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organofluoride - Aldehyde - 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