Phyto4Health

Phenylethyl Alcohol

Representations & DB's id

ChEBI: CHEBI:49000
ChEMBL: CHEMBL448500
PubChem: 6054
IUPAC: 2-phenylethanol
Standard InChI: InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Standard InChI Key: WRMNZCZEMHIOCP-UHFFFAOYSA-N
SMILES: OCCc1ccccc1

Molecular propeties

AlogP: 1.22
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 2
Number of rings: 1
Molecular Weight: 122.07
Topological polar surface area: 20.2
Number of aromatic rings: 1
Fsp3: 0.25
Number of carbons: 8

Plant sources

Part of plant Plant name Ref.
PlantAconitum napellus
PlantSanguisorba officinalis
PlantConvallaria majalis
FructusSchisandra chinensis
PlantBergenia crassifolia
PlantCapsella bursa-pastoris
PlantPetroselinum crispum
PlantPetroselinum crispum
PlantPetroselinum crispum
PlantVaccinium vitis-idaea
PlantVitis vinifera
FlowerCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency89125.1 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency562.3 nMGemininO75496