Compound Identification
SMILES
COC1C(O)C(O)C(C)OC1OC1CC(O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(C)=O
InChIKey
InChIKey=NXVNJIQYJOJGTH-UHFFFAOYSA-N
Formula
C28H30O12
Mass
558.536
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 Alkyl aryl ethers Oxanes Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Secondary alcohols Polyols Oxacyclic compounds Acetals Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
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 - Benzenoid - Oxane - Monosaccharide - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Secondary alcohol - Ketone - Ether - Dialkyl ether - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Carbonyl group - Aldehyde - Organic oxide - Organic oxygen compound - Alcohol - 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