Phyto4Health

4-Hydroxyacetophenone

Representations & DB's id

ChEBI: CHEBI:28032
ChEMBL: CHEMBL201083
PubChem: 7469
IUPAC: 1-(4-hydroxyphenyl)ethanone
Standard InChI: InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
Standard InChI Key: TXFPEBPIARQUIG-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(cc1)O

Molecular propeties

AlogP: 1.59
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 1
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 136.05
Topological polar surface area: 37.3
Number of aromatic rings: 1
Fsp3: 0.125
Number of carbons: 8

Plant sources

Part of plant Plant name Ref.
PlantDysphania ambrosioides
PlantVaccinium vitis-idaea
PlantVaccinium vitis-idaea
PlantMenyanthes trifoliata

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50166000 nMSuccinate semialdehyde dehydrogenaseP51649
IC50188000 nMGamma-amino-N-butyrate transaminaseP80404
Others36.59 %Estradiol 17-beta-dehydrogenase 3P37058
IC501708920 nMEstradiol 17-beta-dehydrogenase 3P37058
Others1700 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others1500 pm/min/mgUDP-glucuronosyltransferase 1-9O60656