Compound Identification
SMILES
CCCCCCCCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=CC=CC=C1C3=O
InChIKey
InChIKey=YWQHMXVSCZZXBO-QXKPATRESA-N
Formula
C35H40F3NO10
Mass
691.697
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 Oxanes Monosaccharides Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Acetals Organic oxides Organopnictogen compounds Hydrocarbon derivatives Aldehydes Alkyl fluorides Organofluorides Organonitrogen compounds
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 - Monosaccharide - Oxane - Benzenoid - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Oxacycle - Aldehyde - Organohalogen compound - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - 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