Phyto4Health

Pentanal

Representations & DB's id

ChEBI: CHEBI:84069
ChEMBL: CHEMBL18602
PubChem: 8063
IUPAC: pentanal
Standard InChI: InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
Standard InChI Key: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
SMILES: CCCCC=O

Molecular propeties

AlogP: 1.38
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 0
Rotatable bonds: 3
Number of rings: 0
Molecular Weight: 86.07
Topological polar surface area: 17.1
Number of aromatic rings: 0
Fsp3: 0.8
Number of carbons: 5

Plant sources

Part of plant Plant name Ref.
PlantJuglans regia
PlantCapsella bursa-pastoris
PlantVaccinium vitis-idaea

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency74978 nMNuclear factor erythroid 2-related factor 2Q16236