Phyto4Health

Methylparaben

Representations & DB's id
ChEBI: CHEBI:31835
ChEMBL: CHEMBL325372
PubChem: 7456
IUPAC: methyl 4-hydroxybenzoate
Standard InChI: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
Standard InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(cc1)O

Molecular propeties
AlogP: 1.18
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 1
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 152.05
Topological polar surface area: 46.5
Number of aromatic rings: 1
Fsp3: 0.125
Number of carbons: 8

Plant sources

Part of plant Plant name Ref.
PlantOcimum gratissimum
PlantCrocus sativus
PlantCrocus sativus
PlantCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency6513.1 nMNuclear factor erythroid 2-related factor 2Q16236
Others130 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others200 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others2000 pm/min/mgUDP-glucuronosyltransferase 1-9O60656
Potency354.8 nMCellular tumor antigen p53P04637
Potency19331.2 nMNuclear factor erythroid 2-related factor 2Q16236
Potency3162.3 nMGlutaminase kidney isoform, mitochondrialO94925
Ki4100 nMCarbonic anhydrase XIVQ9ULX7
Ki820 nMCarbonic anhydrase XIIO43570
Ki5500 nMCarbonic anhydrase IXQ16790
Ki780 nMCarbonic anhydrase VIIP43166
Ki3400 nMCarbonic anhydrase IIP00918
Ki2600 nMCarbonic anhydrase IP00915