Compound Identification
SMILES
COC(=O)C1C2=C(C(CC1(C)O)OC1CC(C(O)C(C)O1)N(C)C)C(O)=C1C(=O)C3=C(C=CC=C3O)C(=O)C1=C2
InChIKey
InChIKey=QJXJRECTYIMQFD-UHFFFAOYSA-N
Formula
C29H33NO10
Mass
555.58
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-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Vinylogous acids Tertiary alcohols Methyl esters Amino acids and derivatives Secondary alcohols Trialkylamines 1,2-aminoalcohols Oxacyclic compounds Polyols Acetals Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Aminoglycoside core - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Amino saccharide - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monosaccharide - Oxane - Tertiary alcohol - Methyl ester - Vinylogous acid - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ketone - 1,2-aminoalcohol - Carboxylic acid ester - Amino acid or derivatives - Polyol - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - 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
Not available