Phyto4Health

Maltol

Representations & DB's id
ChEBI: CHEBI:69438
ChEMBL: CHEMBL31422
PubChem: 8369
IUPAC: 3-hydroxy-2-methylpyran-4-one
Standard InChI: InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
Standard InChI Key: XPCTZQVDEJYUGT-UHFFFAOYSA-N
SMILES: O=c1ccoc(c1O)C

Molecular propeties
AlogP: 0.65
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 1
Rotatable bonds: 0
Number of rings: 1
Molecular Weight: 126.03
Topological polar surface area: 46.5
Number of aromatic rings: 1
Fsp3: 0.167
Number of carbons: 6

Plant sources

Part of plant Plant name Ref.
RubraPanax ginseng
RubraPanax ginseng
FlowerCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency7943.3 nMPrelamin-A/CP02545
Potency15848.9 nMLysine-specific demethylase 4D-likeB2RXH2
Potency35481.3 nMLysine-specific demethylase 4D-likeB2RXH2
Others-319 %Arachidonate 5-lipoxygenaseP09917
Others19 %Matrix metalloproteinase 8P22894
Others34 %Matrix metalloproteinase 3P08254
Others38 %Matrix metalloproteinase-2P08253
Others41 %Matrix metalloproteinase-1P03956
Others32 %Matrix metalloproteinase 9P14780
Potency25118.9 nMLysine-specific demethylase 4AO75164
Potency1778.3 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency79432.8 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8