Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(NC(=O)C(F)(F)F)C(OC(=O)C5=CC=C(C=C5)[N+]([O-])=O)C(CNC(=O)C(F)(F)F)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=CZQDJJXBCWUJIL-UHFFFAOYSA-N
Formula
C38H31F6N3O15
Mass
883.662
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 Nitrobenzoic acids and derivatives O-glycosyl compounds Benzoic acid esters Tetralins Nitrobenzenes Anisoles Aryl ketones Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Oxanes Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols Carboxylic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Acetals Organic oxoazanium compounds Monocarboxylic acids and derivatives Alkyl fluorides Organic zwitterions Organofluorides Organic salts Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Nitrobenzoate - Glycosyl compound - O-glycosyl compound - Benzoate ester - Tetralin - Benzoic acid or derivatives - Nitrobenzene - Benzoyl - Aryl ketone - Nitroaromatic compound - Anisole - Alkyl aryl ether - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Oxane - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Oxacycle - Acetal - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Polyol - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Aldehyde - Organic salt - 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