Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)OCC5=CC(NC(=O)C(F)(F)F)=C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C=C5)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=VVUODJXNWGIFNA-PEARUVMNSA-N
Formula
C43H43F3N2O21
Mass
980.805
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 Tetralins Benzyloxycarbonyls Anilides Anisoles Aryl ketones N-arylamides Phenoxy compounds Beta hydroxy acids and derivatives Alkyl aryl ethers Oxanes Monosaccharides Pyrans Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols Carbamate esters Secondary carboxylic acid amides Secondary alcohols Carboxylic acids Oxacyclic compounds Acetals Polyols Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Aldehydes Primary alcohols Alkyl fluorides Organofluorides Organic oxides
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 - Anilide - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Aryl ketone - Beta-hydroxy acid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Pyran - Oxane - Vinylogous acid - Carbamic acid ester - Tertiary alcohol - Alpha-hydroxy ketone - Secondary alcohol - Secondary carboxylic acid amide - Ketone - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid - Acetal - Carboxylic acid derivative - Ether - Polyol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Aldehyde - Primary alcohol - 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