Compound Identification
SMILES
CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](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=ZOCKGBMQLCSHFP-ZQUOIQDWSA-N
Formula
C34H36F3NO13
Mass
723.651
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 Oxanes Monosaccharides Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Carboxylic acid esters Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Acetals Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Organic oxides Organofluorides
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 - Fatty acyl - Monosaccharide - Oxane - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Ether - Acetal - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Alkyl halide - Alcohol - Organooxygen compound - Organonitrogen 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