Compound Identification
SMILES
[Na+].COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C([O-])=O)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=KWZUOGLBLBPDLW-YDOLMABLSA-M
Formula
C34H36NNaO18
Mass
769.641
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-glucuronides O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Beta hydroxy acids and derivatives Oxanes Pyrans Monosaccharides Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols Carbamate esters Secondary alcohols Carboxylic acid salts Oxacyclic compounds Acetals Polyols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organic sodium salts Aldehydes Organopnictogen compounds Organonitrogen compounds Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Beta-hydroxy acid - Benzenoid - Pyran - Oxane - Hydroxy acid - Monosaccharide - Tertiary alcohol - Carbamic acid ester - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - Carboxylic acid salt - Ketone - Polyol - Acetal - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic alkali metal salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Alcohol - Aldehyde - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic sodium salt - Organic salt - Organopnictogen compound - Organic oxide - 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