Phyto4Health

Thymol

Representations & DB's id
ChEBI: CHEBI:27607
ChEMBL: CHEMBL29411
PubChem: 6989
IUPAC: 5-methyl-2-propan-2-ylphenol
Standard InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
Standard InChI Key: MGSRCZKZVOBKFT-UHFFFAOYSA-N
SMILES: Cc1ccc(c(c1)O)C(C)C

Molecular propeties
AlogP: 2.82
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 150.1
Topological polar surface area: 20.2
Number of aromatic rings: 1
Fsp3: 0.4
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
ShootOriganum vulgare
ShootOriganum vulgare
ShootOriganum vulgare
FruitTrachyspermum ammi
FruitTrachyspermum ammi
Seed Essent. OilCoriandrum sativum
StigmaZea mays
StigmaZea mays
StigmaZea mays
PlantPrunus laurocerasus
ImmaturusCitrus unshiu
PlantPrunus persica
PlantVaccinium vitis-idaea
PlantThymus vulgaris
ShootThymus vulgaris
Essential OilThymus vulgaris
PlantThymus vulgaris
ShootThymus vulgaris
Essential OilThymus vulgaris
PlantThymus vulgaris
ShootThymus vulgaris
Essential OilThymus vulgaris
PlantThymus vulgaris
ShootThymus vulgaris
Essential OilThymus vulgaris
PlantSambucus nigra
PlantThymus serpyllum
PlantThymus serpyllum
PlantThymus serpyllum
LeafSalvia officinalis
Essential OilSalvia officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
EC506000 nMTransient receptor potential cation channel subfamily A member 1O75762
Potency794.3 nMPrelamin-A/CP02545
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others69 pm/min/mgUDP-glucuronosyltransferase 1-3P35503
Others15 pm/min/mgUDP-glucuronosyltransferase 1A4P22310
Others0 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others0 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others400 pm/min/mgUDP-glucuronosyltransferase 1-9O60656
Others0 pm/min/mgUDP-glucuronosyltransferase 2A1Q9Y4X1
Others0 pm/min/mgUDP-glucuronosyltransferase 2B15P54855
EC506000 nMTransient receptor potential cation channel subfamily A member 1O75762