Phyto4Health

Guaiacol

Representations & DB's id

ChEBI: CHEBI:28591
ChEMBL: CHEMBL13766
PubChem: 460
IUPAC: 2-methoxyphenol
Standard InChI: InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
Standard InChI Key: LHGVFZTZFXWLCP-UHFFFAOYSA-N
SMILES: COc1ccccc1O

Molecular propeties

AlogP: 1.4
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 1
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 124.05
Topological polar surface area: 29.5
Number of aromatic rings: 1
Fsp3: 0.143
Number of carbons: 7

Plant sources

Part of plant Plant name Ref.
RadixPanax ginseng
FructusCapsicum annuum
PlantEucalyptus globulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Ki60200 nMCarbonic anhydrase IP00915
Ki2940 nMCarbonic anhydrase IIP00918
Potency5011.9 nMThyroid stimulating hormone receptorP16473
Potency5011.9 nMThyroid stimulating hormone receptorP16473
Potency12.6 nMCellular tumor antigen p53P04637
Others-6 %Matrix metalloproteinase 9P14780
Others8 %Matrix metalloproteinase-1P03956
Others-5 %Matrix metalloproteinase-2P08253
Others60 %Arachidonate 5-lipoxygenaseP09917
Others4 %Matrix metalloproteinase 8P22894
Others-4 %Matrix metalloproteinase 3P08254
Potency7307.8 nMNuclear factor erythroid 2-related factor 2Q16236
Potency22387.2 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency580.2 nMATPase family AAA domain-containing protein 5Q96QE3
Potency149.6 nMNuclear receptor ROR-gammaP51449