Compound Identification
SMILES
COC(=O)[C@@H]1C2=CC3=C(C(O)=C2[C@H](C[C@@]1(O)CC(C)=O)O[C@@H]1C[C@H]([C@@H](O[C@H]2C[C@H](O)[C@@H](O)[C@@H](C)O2)[C@H](C)O1)N(C)C)C(=O)C1=C(C=CC=C1O)C3=O
InChIKey
InChIKey=PSUQQLCSYKMETC-GYLATGTOSA-N
Formula
C37H45NO14
Mass
727.76
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 Anthraquinones Naphthalenecarboxylic acids and derivatives O-glycosyl compounds Disaccharides Tetralins Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Beta-hydroxy ketones Vinylogous acids Tertiary alcohols Methyl esters Trialkylamines Secondary alcohols Amino acids and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - Aminoglycoside core - Anthracene carboxylic acid or derivatives - Anthracene carboxylic acid - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - O-glycosyl compound - Glycosyl compound - Disaccharide - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Amino saccharide - Benzenoid - Oxane - Beta-hydroxy ketone - Vinylogous acid - Methyl ester - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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