Phyto4Health

2-Ethylhexan-1-Ol

Representations & DB's id

ChEBI: CHEBI:16011
ChEMBL: CHEMBL31637
PubChem: 7720
IUPAC: 2-ethylhexan-1-ol
Standard InChI: InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
Standard InChI Key: YIWUKEYIRIRTPP-UHFFFAOYSA-N
SMILES: CCCCC(CO)CC

Molecular propeties

AlogP: 2.2
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 5
Number of rings: 0
Molecular Weight: 130.14
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 8

Plant sources

Part of plant Plant name Ref.
PlantPanax ginseng
PlantCapsella bursa-pastoris
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency31622.8 nMAldehyde dehydrogenase 1A1P00352
Others873 pm/min/mgUDP-glucuronosyltransferase 2A1Q9Y4X1
Potency18356.4 nMGemininO75496