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)C1CO1)C2=O
InChIKey
InChIKey=IPOCIXQTDOHNMZ-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 O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Monosaccharides Vinylogous acids Tertiary alcohols Secondary carboxylic acid amides Secondary alcohols Acetals Polyols Oxacyclic compounds Dialkyl ethers Epoxides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Monosaccharide - Oxane - Benzenoid - Vinylogous acid - Tertiary alcohol - Secondary alcohol - Ketone - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Oxirane - Dialkyl ether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen 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