Compound Identification
SMILES
[H][C@@]1(C)O[C@]([H])(O[C@]2([H])C3=C(C=C4C(=O)C5=C(C(O)=CC(OC)=C5)C(=O)C4=C3O)[C@]([H])(O)[C@@](C)(O)[C@@]2([H])OC)[C@@]([H])(OC)[C@]([H])(O)[C@@]1([H])OC
InChIKey
InChIKey=HLDJDCWKEYDIPB-GXKNPAEGSA-N
Formula
C29H34O13
Mass
590.578
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 Hexoses O-glycosyl compounds Tetralins Aryl ketones Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Oxanes Vinylogous acids Tertiary alcohols Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Oxane - Monosaccharide - Tertiary alcohol - Vinylogous acid - Secondary alcohol - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Polyol - Acetal - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - 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