Compound Identification
SMILES
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H]([NH3+])[C@H](O[C@@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
InChIKey
InChIKey=KMSKQZKKOZQFFG-YXRRJAAWSA-O
Formula
C32H38NO12
Mass
628.65
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 Aminoglycosides Anthraquinones O-glycosyl compounds Tetralins Aryl ketones Anisoles Alkyl aryl ethers Oxanes Monosaccharides Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Polyols Oxacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - Aminoglycoside core - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Tetralin - Aryl ketone - Anisole - Amino saccharide - Alkyl aryl ether - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - Organic cation - 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