Compound Identification
SMILES
CCC1(O)CC(OC2CC(C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)N(C)C)C2=C(C=C3C(=O)C4=CC(O)=CC(O)=C4C(=O)C3=C2O)C1C(=O)OC
InChIKey
InChIKey=YKOJDLMFXPQKSN-UHFFFAOYSA-N
Formula
C42H51NO16
Mass
825.861
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 Anthracenecarboxylic acids Aminoglycosides Hydroxyanthraquinones Naphthalenecarboxylic acids and derivatives Disaccharides O-glycosyl compounds Tetralins Pyranodioxins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 1,4-dioxanes Oxanes Vinylogous acids Tertiary alcohols Methyl esters Cyclic ketones Amino acids and derivatives Trialkylamines Polyols Oxacyclic compounds Acetals Dialkyl ethers Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives 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 - Hydroxyanthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Pyranodioxin - Aryl ketone - Amino saccharide - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Para-dioxane - Benzenoid - Oxane - Tertiary alcohol - Vinylogous acid - Methyl ester - Ketone - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Cyclic ketone - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Ether - Dialkyl ether - Carboxylic acid derivative - Polyol - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Alcohol - 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