Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(N)C(O)C(C)O4)C3=C1O)C(C)=NNC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=O
InChIKey
InChIKey=FVZMRMIWBDJTBT-UHFFFAOYSA-N
Formula
C36H33F6N3O10
Mass
781.661
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 Aminoglycosides Anthraquinones Hexoses O-glycosyl compounds Trifluoromethylbenzenes Tetralins Benzoic acids and derivatives Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers Oxanes Vinylogous acids Tertiary alcohols 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Polyols Acetals Oxacyclic compounds Organofluorides Organopnictogen compounds Alkyl fluorides Aldehydes Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Trifluoromethylbenzene - Tetralin - Benzoic acid or derivatives - Anisole - Aryl ketone - Benzoyl - Alkyl aryl ether - Amino saccharide - Benzenoid - Oxane - Monocyclic benzene moiety - Monosaccharide - Tertiary alcohol - Vinylogous acid - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Ketone - Organoheterocyclic compound - Acetal - Polyol - Oxacycle - Carboxylic acid derivative - Ether - Organopnictogen compound - Aldehyde - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Alcohol - Amine - Alkyl halide - Organofluoride - Organohalogen compound - Primary aliphatic amine - Primary amine - 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