Phyto4Health

5-Hexyloxolan-2-One

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL365740
PubChem: 12813
IUPAC: 5-hexyloxolan-2-one
Standard InChI: InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
Standard InChI Key: IFYYFLINQYPWGJ-UHFFFAOYSA-N
SMILES: CCCCCCC1CCC(=O)O1

Molecular propeties

AlogP: 2.66
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 0
Rotatable bonds: 5
Number of rings: 1
Molecular Weight: 170.13
Topological polar surface area: 26.3
Number of aromatic rings: 0
Fsp3: 0.9
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
PlantPrunus armeniaca

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50110000 nMCytochrome P450 1A2P05177