Phyto4Health

2-Decanone

Representations & DB's id

ChEBI: CHEBI:77929
ChEMBL: CHEMBL47127
PubChem: 12741
IUPAC: decan-2-one
Standard InChI: InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
Standard InChI Key: ZAJNGDIORYACQU-UHFFFAOYSA-N
SMILES: CCCCCCCCC(=O)C

Molecular propeties

AlogP: 3.33
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 0
Rotatable bonds: 7
Number of rings: 0
Molecular Weight: 156.15
Topological polar surface area: 17.1
Number of aromatic rings: 0
Fsp3: 0.9
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
StrobilusHumulus lupulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC508511380.38 nMCarboxylesterase 2O00748