Compound Identification
SMILES
COC1C(C)OC(OC2CC(C)(O)CC3=C2C(O)=C2C(=O)C4=C(O)C=C5C(OC6OC5(C)C(OC(C)=O)C(C6OC(C)=O)N(C)C)=C4C(=O)C2=C3)C(OC)C1(C)OC
InChIKey
InChIKey=NIWQUEFNNOIENB-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 Anthraquinones Hexoses O-glycosyl compounds Tetralins Aryl ketones Aralkylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Oxanes Vinylogous acids Tertiary alcohols Trialkylamines Carboxylic acid esters Amino acids and derivatives Polyols Oxacyclic compounds Acetals Dialkyl ethers Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Amino saccharide - Benzenoid - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Vinylogous acid - Tertiary alcohol - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Ketone - Tertiary amine - Oxacycle - Carboxylic acid derivative - Acetal - Ether - Dialkyl ether - Polyol - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - 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