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3,5-Dihydroxybenzoic Acid

Representations & DB's id

ChEBI: CHEBI:39912
ChEMBL: CHEMBL95308
PubChem: 7424
IUPAC: 3,5-dihydroxybenzoic acid
Standard InChI: InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
Standard InChI Key: UYEMGAFJOZZIFP-UHFFFAOYSA-N
SMILES: Oc1cc(O)cc(c1)C(=O)O

Molecular propeties

AlogP: 0.8
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 3
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 154.03
Topological polar surface area: 77.8
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 7

Plant sources

Part of plant Plant name Ref.
PlantTaraxacum officinale

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Ki550 nMCarbonic anhydrase IP00915
Ki510 nMCarbonic anhydrase IIP00918
Ki4410 nMCarbonic anhydrase IXQ16790
Ki3670 nMCarbonic anhydrase XIIO43570
IC50100000 nMProtein-tyrosine phosphatase 1BP18031
EC50377000 nMG-protein coupled receptor 81Q9BXC0
EC501000000 nMHydroxycarboxylic acid receptor 2Q8TDS4
Ki650 nMCarbonic anhydrase XIVQ9ULX7
Ki7170 nMCarbonic anhydrase VIIP43166