Compound Identification
SMILES
CC1OC(CC(O)C1O)OC1C(C)OC(CC1O)O[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=CC=CC=C1C3=O)C(=O)CO
InChIKey
InChIKey=GTOMBCDNBJJJIT-RAVQUNSFSA-N
Formula
C32H36O14
Mass
644.626
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 Disaccharides O-glycosyl compounds Tetralins Aryl ketones Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Primary alcohols Aldehydes 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 - Aryl ketone - Oxane - Benzenoid - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - Ketone - Acetal - Polyol - Oxacycle - Organoheterocyclic compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aldehyde - 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