Phyto4Health

Stearic Acid

Representations & DB's id
ChEBI: CHEBI:28842
ChEMBL: CHEMBL46403
PubChem: 5281
IUPAC: octadecanoic acid
Standard InChI: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
Standard InChI Key: QIQXTHQIDYTFRH-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)O

Molecular propeties
AlogP: 6.33
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 16
Number of rings: 0
Molecular Weight: 284.27
Topological polar surface area: 37.3
Number of aromatic rings: 0
Fsp3: 0.944
Number of carbons: 18

Plant sources

Part of plant Plant name Ref.
FructusPunica granatum
RadixInula helenium
PlantPrunus armeniaca
RadixPanax ginseng
HerbaHypericum perforatum
RadixPolygala sibirica
PlantPolygala tenuifolia
PlantCitrullus colocynthis
SemenCannabis sativa
SemenCannabis sativa
PlantVerbascum thapsus
PlantPrunus laurocerasus
SemenLinum usitatissimum
ImmaturusCitrus unshiu
PlantOcimum gratissimum
PlantTaraxacum officinale
SemenJuglans regia
PlantSilybum marianum
PlantHyoscyamus niger
FructusCapsicum annuum
PlantPlantago major
PlantPrunus armeniaca
PlantSalvia officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others89.4 %Cytochrome P450 19A1P11511
Potency25118.9 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency25118.9 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency10000 nMThyroid stimulating hormone receptorP16473
Potency39810.7 nMArachidonate 15-lipoxygenaseP16050
Potency10000 nMThyroid stimulating hormone receptorP16473
Potency14.1 nMNuclear factor NF-kappa-B p105 subunitP19838
IC506000 nMPeroxisome proliferator-activated receptor deltaQ03181
IC5030000 nMPeroxisome proliferator-activated receptor gammaP37231
IC501100 nMPeroxisome proliferator-activated receptor alphaQ07869