Phyto4Health

Pentane

Representations & DB's id

ChEBI: CHEBI:37830
ChEMBL: CHEMBL16102
PubChem: 8003
IUPAC: pentane
Standard InChI: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
Standard InChI Key: OFBQJSOFQDEBGM-UHFFFAOYSA-N
SMILES: CCCCC

Molecular propeties

AlogP: 2.2
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 2
Number of rings: 0
Molecular Weight: 72.09
Topological polar surface area: 0
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 5

Plant sources

Part of plant Plant name Ref.
PlantCoriandrum sativum
PlantFoeniculum vulgare
PlantHumulus lupulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency7943.3 nMPrelamin-A/CP02545
Potency100 nMThyroid stimulating hormone receptorP16473
Potency100 nMThyroid stimulating hormone receptorP16473
Potency18833.6 nMNuclear factor erythroid 2-related factor 2Q16236