Compound Identification
SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C2=C(C=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=C2O)[C@H]1C(=O)OC
InChIKey
InChIKey=MCWLCHNOMBKWNJ-JXJKFGGBSA-N
Formula
C28H31NO10
Mass
541.553
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 Anthracenecarboxylic acids Anthraquinones Naphthalenecarboxylic acids and derivatives Hexoses O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Methyl esters Tertiary alcohols Vinylogous acids 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Acetals Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - 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 - Amino saccharide - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Oxane - Monosaccharide - Tertiary alcohol - Methyl ester - Vinylogous acid - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - 1,2-aminoalcohol - Ketone - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Polyol - Oxacycle - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Amine - Alcohol - 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