Compound Identification
SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C(O)=C2[C@H]1O[C@@H]1C[C@H]([C@@H](O[C@@H]2C[C@@H](O)[C@@H](O[C@@H]4C[C@@H](O)[C@@H](O)[C@@H](C)O4)[C@@H](C)O2)[C@@H](C)O1)N(C)C)C(=O)C1=C(O)C=CC(O)=C1C3=O
InChIKey
InChIKey=BUFDUWWSTPPVQS-DISGVDRPSA-N
Formula
C60H88N2O25
Mass
1237.353
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 Disaccharides O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Oxanes Vinylogous acids Tertiary alcohols Secondary alcohols Trialkylamines Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Aldehydes Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Amino saccharide - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Oxane - Tertiary alcohol - Vinylogous acid - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketone - Acetal - Polyol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Aldehyde - Amine - Organooxygen compound - Organonitrogen 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