Compound Identification
SMILES
FC(F)(F)OC1=CC2=C(OC(=O)C3=CC=CC=C23)C=C1
InChIKey
InChIKey=YYSKKPVQGCHBFX-UHFFFAOYSA-N
Formula
C14H7F3O3
Mass
280.202
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Isocoumarins and derivatives 2-benzopyrans 1-benzopyrans Phenol ethers Pyranones and derivatives Heteroaromatic compounds Trihalomethanes Lactones Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Isocoumarin - Benzopyran - 1-benzopyran - 2-benzopyran - Phenol ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Trihalomethane - Oxacycle - Organoheterocyclic compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available