Compound Identification
SMILES
CO[C@H]1OCCN2[C@H]3C[C@H](O[C@H]4C[C@@](O)(CC5=C(O)C6=C(C(O)=C45)C(=O)C4=C(C=CC=C4OC)C6=O)C(=O)CO)O[C@@H](C)[C@H]3O[C@H]12
InChIKey
InChIKey=SLURUCSFDHKXFR-WWMWMSKMSA-N
Formula
C32H35NO13
Mass
641.626
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 Anthraquinones Tetralins Anisoles Aryl ketones Alkyl aryl ethers Monosaccharides Morpholines Oxanes Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Oxazolidines Hemiaminals Acetals Azacyclic compounds Polyols Oxacyclic compounds Organopnictogen compounds Organic oxides Aldehydes Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxazinane - Oxane - Morpholine - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Oxazolidine - Hemiaminal - Ketone - Azacycle - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Polyol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Primary alcohol - Alcohol - 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