Phyto4Health

1,4-Dimethoxybenzene

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1668604
PubChem: 9016
IUPAC: 1,4-dimethoxybenzene
Standard InChI: InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
Standard InChI Key: OHBQPCCCRFSCAX-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)OC

Molecular propeties

AlogP: 1.7
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 0
Rotatable bonds: 2
Number of rings: 1
Molecular Weight: 138.07
Topological polar surface area: 18.5
Number of aromatic rings: 1
Fsp3: 0.25
Number of carbons: 8

Plant sources

Part of plant Plant name Ref.
FructusFoeniculum vulgare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Ki8210 nMCarbonic anhydrase IP00915
Ki3350 nMCarbonic anhydrase IIP00918
Ki4150 nMCarbonic anhydrase IXQ16790
Ki4020 nMCarbonic anhydrase XIIO43570
Potency66824.2 nMNuclear factor erythroid 2-related factor 2Q16236
Ki6790 nMCarbonic anhydrase XIVQ9ULX7
Ki3880 nMCarbonic anhydrase VIIP43166