Compound Identification
SMILES
CCC1(O)CC(OC2CC(NC)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(O)c3C(=O)c4c(O)ccc(O)c4C(=O)c3cc2C1C(=O)OC
InChIKey
InChIKey=NCRRBITWXDBVLG-UHFFFAOYSA-N
Formula
C41H51NO16
Mass
813.85
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 Disaccharides O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Methyl esters Vinylogous acids Tertiary alcohols Cyclic ketones Secondary alcohols Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Organopnictogen compounds Organic oxides
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 - O-glycosyl compound - Disaccharide - Glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Amino saccharide - 1-hydroxy-2-unsubstituted benzenoid - Oxane - Benzenoid - Vinylogous acid - Methyl ester - Tertiary alcohol - Amino acid or derivatives - Cyclic ketone - Carboxylic acid ester - Secondary alcohol - Ketone - Acetal - Secondary amine - Secondary aliphatic amine - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - 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