Compound Identification
SMILES
CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4OC(C)C(=O)C=C4)C(C)O3)C(C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)ccc(O)c4C(=O)c3cc2[C@H]1C(=O)OC
InChIKey
InChIKey=QEAUOZOEMLMFLN-CEPMKHARSA-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 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 Dihydropyranones Oxanes Methyl esters Vinylogous acids Tertiary alcohols Cyclic ketones Secondary alcohols Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Amino saccharide - Dihydropyranone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyran - Oxane - Methyl ester - Tertiary alcohol - Vinylogous acid - Amino acid or derivatives - Carboxylic acid ester - Cyclic ketone - Tertiary aliphatic amine - Ketone - Tertiary amine - Secondary alcohol - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Polyol - 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