Phyto4Health

Propylene Glycol

Representations & DB's id

ChEBI: CHEBI:16997
ChEMBL: CHEMBL286398
PubChem: 1030
IUPAC: propane-1,2-diol
Standard InChI: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
Standard InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N
SMILES: OCC(O)C

Molecular propeties

AlogP: -0.64
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 1
Number of rings: 0
Molecular Weight: 76.05
Topological polar surface area: 40.5
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 3

Plant sources

Part of plant Plant name Ref.
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency5011.9 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency7497.8 nMNuclear receptor ROR-gammaP51449