Phyto4Health

Eugenol

Representations & DB's id
ChEBI: CHEBI:4917
ChEMBL: CHEMBL42710
PubChem: 3314
IUPAC: 2-methoxy-4-prop-2-enylphenol
Standard InChI: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
Standard InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N
SMILES: C=CCc1ccc(c(c1)OC)O

Molecular propeties
AlogP: 2.13
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 1
Rotatable bonds: 3
Number of rings: 1
Molecular Weight: 164.08
Topological polar surface area: 29.5
Number of aromatic rings: 1
Fsp3: 0.2
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
RhizomeAcorus calamus
RhizomeAcorus calamus
RubraPanax ginseng
PlantCannabis sativa
PlantCannabis sativa
PlantCannabis sativa
StigmaZea mays
Leaf Essent. OilLaurus nobilis
Essential OilLaurus nobilis
LeafLaurus nobilis
Leaf Essent. OilLaurus nobilis
Essential OilLaurus nobilis
LeafLaurus nobilis
Leaf Essent. OilLaurus nobilis
Essential OilLaurus nobilis
LeafLaurus nobilis
Leaf Essent. OilOriganum majorana
PlantOriganum majorana
Leaf Essent. OilOriganum majorana
PlantOriganum majorana
Leaf Essent. OilOriganum majorana
PlantOriganum majorana
ShootOcimum gratissimum
SeedOcimum gratissimum
PlantOcimum gratissimum
PlantPrunus persica
PlantThymus vulgaris
PlantAchillea millefolium
PlantAchillea millefolium
PlantAchillea millefolium
PlantAnethum graveolens
LeafAnethum graveolens
Essential OilAnethum graveolens
FructusFoeniculum vulgare
FructusFoeniculum vulgare
StrobilusHumulus lupulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5019000 nMAndrogen ReceptorP10275
IC5019054.61 nMAndrogen ReceptorP10275
Potency14125.4 nMAldehyde dehydrogenase 1A1P00352
Potency3981.1 nMCytochrome P450 3A4P08684
Potency3981.1 nMCytochrome P450 3A4P08684
Others170 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others71 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others112 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others61 pm/min/mgUDP-glucuronosyltransferase 1-3P35503
Others9 pm/min/mgUDP-glucuronosyltransferase 1A4P22310
Others1100 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others1322 pm/min/mgUDP-glucuronosyltransferase 1-8Q9HAW9
Others1050 pm/min/mgUDP-glucuronosyltransferase 1-8Q9HAW9
Others1200 pm/min/mgUDP-glucuronosyltransferase 1-9O60656
Others320 pm/min/mgUDP-glucuronosyltransferase 2A1Q9Y4X1
Others167 pm/min/mgUDP-glucuronosyltransferase 2B15P54855
Others38 pm/min/mgUDP-glucuronosyltransferase 2B17O75795
Others38 pm/min/mgUDP-glucuronosyltransferase 2B17O75795
Potency13335.9 nMGemininO75496
Potency66824.2 nMInterleukin-8P10145