Compound Identification
SMILES
COC1C(C)OC(OC2CC(C)(O)C(C(=O)OC)C3=C2C(O)=C2C(=O)C4=C(O)C=C5C(OC6OC5(C)C(O)C(C6O)N(C)C(C)=O)=C4C(=O)C2=C3)C(OC)C1(C)OC
InChIKey
InChIKey=GAFHSDDJMLEFFQ-UHFFFAOYSA-N
Formula
C40H49NO17
Mass
815.822
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 Anthracenecarboxylic acids Anthraquinones Naphthalenecarboxylic acids and derivatives Hexoses O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Aminosaccharides 1-hydroxy-2-unsubstituted benzenoids Oxanes Tertiary carboxylic acid amides Tertiary alcohols Acetamides Vinylogous acids Methyl esters Secondary alcohols Dialkyl ethers Oxacyclic compounds Polyols Acetals Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Amino saccharide - Monosaccharide - Oxane - Benzenoid - Acetamide - Vinylogous acid - Methyl ester - Tertiary alcohol - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Ketone - Polyol - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Oxacycle - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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