Compound Identification
SMILES
[2H][13C]([2H])([2H])OC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=VOASREXNXKOKBP-ZMQWQIKPSA-N
Formula
C29H28F3NO11
Mass
627.545
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 Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aldehydes Alkyl fluorides Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxane - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Carboxamide group - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Acetal - Polyol - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Aldehyde - 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