Compound Identification
SMILES
CO[C@H]1[C@@H](O)[C@H](O)[C@@H](C)O[C@H]1O[C@H]1[C@@H](OC)[C@](C)(O)C(=O)C2=C1C(O)=C1C(=O)C3=C(O)C=C(OC)C=C3C(=O)C1=C2
InChIKey
InChIKey=HWMJTJZEJBSVCG-LSFJDVPESA-N
Formula
C28H30O13
Mass
574.535
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 O-glycosyl compounds Disaccharides Tetralins Anisoles Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Acyloins Vinylogous acids Tertiary alcohols Secondary alcohols Polyols Oxacyclic compounds Acetals Dialkyl ethers Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Oxane - Acyloin - Tertiary alcohol - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Organoheterocyclic compound - Acetal - Ether - Oxacycle - Dialkyl ether - Aldehyde - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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