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(C)=O)C2=O
InChIKey
InChIKey=VOASREXNXKOKBP-UHFFFAOYSA-N
Formula
C29H28F3NO11
Mass
623.534
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 Acetals Polyols Oxacyclic compounds Organonitrogen compounds Organopnictogen compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
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 - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Oxane - Monosaccharide - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Ketone - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Ether - Oxacycle - Polyol - Carbonyl group - Alcohol - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organofluoride - Alkyl fluoride - 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