Compound Identification
SMILES
Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3[C@@H](O)[C@](O)(C[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](N)[C@H]4F)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=SKWPUTGKNWRBGJ-KYJWTKNXSA-N
Formula
C27H29ClFNO11
Mass
597.97
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 Anisoles Aryl ketones Alkyl aryl ethers Oxanes Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids 1,2-aminoalcohols Secondary alcohols Oxacyclic compounds Polyols Acetals Organic oxides Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides Aldehydes Organofluorides
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 - Anisole - Aryl ketone - Amino saccharide - Alkyl aryl ether - Monosaccharide - Benzenoid - Oxane - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Ketone - 1,2-aminoalcohol - Secondary alcohol - Organoheterocyclic compound - Ether - Acetal - Oxacycle - Polyol - Primary amine - Hydrochloride - Carbonyl group - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Amine - Organofluoride - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Aldehyde - Alcohol - 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