Compound Identification
SMILES
CCCCCCCC(=O)OCC(=O)C1(O)CC(OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=C(C3=O)C(OC)=CC=C1
InChIKey
InChIKey=GBATUGVYYXYNAD-UHFFFAOYSA-N
Formula
C37H42F3NO13
Mass
765.732
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 Aryl ketones Anisoles Fatty acid esters Alpha-acyloxy ketones Alkyl aryl ethers Oxanes Monosaccharides Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Tetralin - Aryl ketone - Anisole - Alpha-acyloxy ketone - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - 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