Compound Identification
SMILES
CCC1(O)CC(OC2CC(C(OC3CC(O)C(O)C(C)O3)C(C)O2)N(C)C)C23OC2(O)C2=C(C=C3C1C(=O)OC)C(=O)C1=C(C(O)=CC=C1)C2=O
InChIKey
InChIKey=VOWPYHODGBGPIK-UHFFFAOYSA-N
Formula
C36H45NO14
Mass
715.749
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 Disaccharides O-glycosyl compounds Naphthalenes Quinones Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Methyl esters Vinylogous acids Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Epoxides Oxacyclic compounds Polyols Acetals Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - Aminoglycoside core - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 1,4-anthraquinone - 9,10-anthraquinone - Disaccharide - Glycosyl compound - O-glycosyl compound - Naphthalene - Quinone - Aryl ketone - Amino saccharide - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Oxane - Cyclic alcohol - Vinylogous acid - Methyl ester - Tertiary alcohol - Tertiary aliphatic amine - Carboxylic acid ester - Ketone - Amino acid or derivatives - Tertiary amine - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Oxirane - Polyol - Acetal - 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