Phyto4Health

3-Hydroxybenzoic Acid

Representations & DB's id

ChEBI: CHEBI:30764
ChEMBL: CHEMBL65369
PubChem: 7420
IUPAC: 3-hydroxybenzoic acid
Standard InChI: InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
Standard InChI Key: IJFXRHURBJZNAO-UHFFFAOYSA-N
SMILES: Oc1cccc(c1)C(=O)O

Molecular propeties

AlogP: 1.09
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 138.03
Topological polar surface area: 57.5
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 7

Plant sources

Part of plant Plant name Ref.
PlantThymus vulgaris

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Ki2370 nMCarbonic anhydrase IP00915
Ki600 nMCarbonic anhydrase IIP00918
Ki4530 nMCarbonic anhydrase IXQ16790
Ki3530 nMCarbonic anhydrase XIIO43570
Ki3170 nMCarbonic anhydrase VIP23280
IC50100000 nMProtein-tyrosine phosphatase 1BP18031
EC50184000 nMG-protein coupled receptor 81Q9BXC0
EC50215000 nMHydroxycarboxylic acid receptor 2Q8TDS4
Others0.1 nMVitamin D receptorP11473