Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(NC(=O)C(F)(F)F)C(O)C(C)O4)C3=C1O)C(=O)COC(=O)CCCCC(O)=O)C2=O
InChIKey
InChIKey=WWEOUUXDYBGPLE-UHFFFAOYSA-N
Formula
C35H36F3NO15
Mass
767.66
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 O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Alpha-acyloxy ketones Fatty acid esters Dicarboxylic acids and derivatives Oxanes Monosaccharides Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Oxacyclic compounds Polyols Acetals Carboxylic acids Hydrocarbon derivatives Organopnictogen compounds Organic oxides Aldehydes Organonitrogen compounds Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Alpha-acyloxy ketone - Fatty acid ester - Alkyl aryl ether - Benzenoid - Monosaccharide - Fatty acyl - Dicarboxylic acid or derivatives - Oxane - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Carboxamide group - Carboxylic acid ester - Ketone - Secondary alcohol - Secondary carboxylic acid amide - Acetal - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organofluoride - Alkyl fluoride - Organohalogen compound - Alkyl halide - Aldehyde - 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