Compound Identification
SMILES
OC1=C(SC2=CC=CC(F)=C2)C(=O)OC2=CC=CC=C12
InChIKey
InChIKey=PCCGOZGKDZUHMX-UHFFFAOYSA-N
Formula
C15H9FO3S
Mass
288.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 4-hydroxycoumarins
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Subclass
Hydroxycoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
4-hydroxycoumarins
Alternative Parents
Diarylthioethers 1-benzopyrans Thiophenol ethers Pyranones and derivatives Fluorobenzenes Aryl fluorides Vinylogous acids Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxycoumarin - Diarylthioether - Benzopyran - 1-benzopyran - Aryl thioether - Thiophenol ether - Fluorobenzene - Halobenzene - Pyranone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.
External Descriptors
Not available