Phyto4Health

1-Hexanol

Representations & DB's id

ChEBI: CHEBI:87393
ChEMBL: CHEMBL14085
PubChem: 8103
IUPAC: hexan-1-ol
Standard InChI: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
Standard InChI Key: ZSIAUFGUXNUGDI-UHFFFAOYSA-N
SMILES: CCCCCCO

Molecular propeties

AlogP: 1.56
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 4
Number of rings: 0
Molecular Weight: 102.1
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 6

Plant sources

Part of plant Plant name Ref.
FructusPunica granatum
PlantCoriandrum sativum
PlantCapsella bursa-pastoris
FructusCapsicum annuum
PlantPrunus persica
PlantVaccinium vitis-idaea
PlantGossypium herbaceum
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency12.6 nMThyroid stimulating hormone receptorP16473
Potency12.6 nMThyroid stimulating hormone receptorP16473
Potency47307.9 nMNuclear factor erythroid 2-related factor 2Q16236