Compound Identification
SMILES
COC(=O)C1C2=C(C(CC1(C)O)OC1CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O1)N(C)C)C(O)=C1C(=O)C3=C(O)C=CC(O)=C3C(=O)C1=C2
InChIKey
InChIKey=GBGYAILNRTUWEY-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 Vinylogous acids Methyl esters Tertiary alcohols Cyclic ketones Secondary alcohols Amino acids and derivatives Trialkylamines Acetals Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - Aminoglycoside core - Anthracene carboxylic acid or derivatives - Anthracene carboxylic acid - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - O-glycosyl compound - Disaccharide - Glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Amino saccharide - Benzenoid - Oxane - Tertiary alcohol - Methyl ester - Vinylogous acid - Amino acid or derivatives - Cyclic ketone - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Ketone - Secondary alcohol - Acetal - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Amine - Organonitrogen 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