Compound Identification
SMILES
C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)OC1C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1O)C3=O)C(=O)CO
InChIKey
InChIKey=XELCDTXCWBAMFX-OODLTTPBSA-N
Formula
C26H27NO11
Mass
529.498
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 Anthraquinones Hexoses O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Alpha-hydroxy ketones Tertiary alcohols Vinylogous acids Secondary alcohols 1,2-aminoalcohols Polyols Oxacyclic compounds Acetals Hydrocarbon derivatives Aldehydes Monoalkylamines Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Amino saccharide - Monosaccharide - Benzenoid - Oxane - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - 1,2-aminoalcohol - Ketone - Polyol - Oxacycle - Acetal - Organoheterocyclic compound - Primary alcohol - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Aldehyde - Primary amine - 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