Phyto4Health

Eucalyptol

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL485259
PubChem: 2758
IUPAC: 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
Standard InChI: InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
Standard InChI Key: WEEGYLXZBRQIMU-UHFFFAOYSA-N
SMILES: CC12CCC(CC1)C(O2)(C)C

Molecular propeties

AlogP: 2.74
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 3
Molecular Weight: 154.14
Topological polar surface area: 9.2
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
RhizomaAcorus calamus
RadixInula helenium
PlantNerium oleander
PlantCapsella bursa-pastoris
FructusCapsicum annuum
PlantPlantago major
PlantThymus vulgaris
FructusFoeniculum vulgare
PlantValeriana officinalis
PlantEucalyptus globulus
PlantEucalyptus globulus
PlantEucalyptus globulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency35481.3 nMPrelamin-A/CP02545
Potency39810.7 nMATP-dependent DNA helicase Q1P46063
Potency15848.9 nMThyroid stimulating hormone receptorP16473
Potency4466.8 nMMicrotubule-associated protein tauP10636
Potency31.6 nMMAP kinase ERK2P28482
Potency15848.9 nMThyroid stimulating hormone receptorP16473
Potency5804.8 nMGemininO75496
Others2.3 LXR-alphaQ13133
Others2 LXR-alphaQ13133
Others1.4 LXR-alphaQ13133
Others75 %LXR-alphaQ13133