Compound Identification
SMILES
CCC1(O)CC(OC2CC(C(OC3CC(O)C(O)C(C)O3)C(CO)O2)N(C)C)C2=C(C=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=C2O)C1C(=O)OC
InChIKey
InChIKey=ZXPSEHDLPPGMAM-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 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 Trialkylamines Secondary alcohols Amino acids and derivatives Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Acetals Primary alcohols Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Aminoglycoside core - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - O-glycosyl compound - Disaccharide - Glycosyl compound - Tetralin - Aryl ketone - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Oxane - Benzenoid - Vinylogous acid - Methyl ester - Tertiary alcohol - Secondary alcohol - Amino acid or derivatives - Tertiary amine - Ketone - Tertiary aliphatic amine - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Primary alcohol - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen 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