Compound Identification
SMILES
COS(=O)(=O)O[C@H]1[C@@H](C)O[C@@H](C[C@H]1N1CC1)O[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=CC=CC=C1C3=O)C(C)=O
InChIKey
InChIKey=FXNIKXYTYDTYRY-UPDJBJLJSA-N
Formula
C29H31NO12S
Mass
617.62
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 Hexoses O-glycosyl compounds Tetralins Monosaccharide sulfates Aryl ketones Sulfuric acid diesters Alkyl sulfates Oxanes Tertiary alcohols Vinylogous acids Alpha-hydroxy ketones Trialkylamines Oxacyclic compounds Polyols Aziridines Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Monosaccharide sulfate - Aryl ketone - Sulfuric acid diester - Amino saccharide - Monosaccharide - Oxane - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Alpha-hydroxy ketone - Tertiary alcohol - Organic sulfuric acid or derivatives - Vinylogous acid - Tertiary aliphatic amine - Tertiary amine - Ketone - Polyol - Oxacycle - Aziridine - Azacycle - Organoheterocyclic compound - Acetal - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - Carbonyl group - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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