Compound Identification
SMILES
[H][C@]1(N)C[C@]([H])(O[C@@]2([H])C[C@](O)(CC)[C@]([H])(C(O)=O)C3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2O)C4=O)O[C@@]([H])(C)[C@@]1([H])O
InChIKey
InChIKey=MMYTYGXIKKVLES-AGMCFEMXSA-N
Formula
C27H29NO11
Mass
543.525
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 Hexoses O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Tertiary alcohols Vinylogous acids 1,2-aminoalcohols Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids 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 - 1-naphthalenecarboxylic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Tertiary alcohol - Amino acid or derivatives - Secondary alcohol - Amino acid - Ketone - 1,2-aminoalcohol - Acetal - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Amine - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen 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
CHEBI:31047 : quinone - monosaccharide derivative - anthracycline antibiotic - aminoglycoside - deoxy hexoside - 2-hydroxy monocarboxylic acid