Phyto4Health

Phenylmethoxymethylbenzene

Representations & DB's id

ChEBI: CHEBI:87411
ChEMBL: CHEMBL152299
PubChem: 7657
IUPAC: phenylmethoxymethylbenzene
Standard InChI: InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
Standard InChI Key: MHDVGSVTJDSBDK-UHFFFAOYSA-N
SMILES: O(Cc1ccccc1)Cc1ccccc1

Molecular propeties

AlogP: 3.4
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 0
Rotatable bonds: 4
Number of rings: 2
Molecular Weight: 198.1
Topological polar surface area: 9.2
Number of aromatic rings: 2
Fsp3: 0.143
Number of carbons: 14

Plant sources

Part of plant Plant name Ref.
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency26603.2 nMNuclear receptor ROR-gammaP51449