Phyto4Health

Oleic Acid

Representations & DB's id

ChEBI: CHEBI:16196
ChEMBL: CHEMBL8659
PubChem: 445639
IUPAC: (Z)-octadec-9-enoic acid
Standard InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
Standard InChI Key: ZQPPMHVWECSIRJ-KTKRTIGZSA-N
SMILES: CCCCCCCC/C=CCCCCCCCC(=O)O

Molecular propeties

AlogP: 6.11
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 15
Number of rings: 0
Molecular Weight: 282.26
Topological polar surface area: 37.3
Number of aromatic rings: 0
Fsp3: 0.833
Number of carbons: 18

Plant sources

Part of plant Plant name Ref.
PlantGratiola officinalis
PlantPunica granatum
PlantPunica granatum
RadixInula helenium
PlantPanax ginseng
PlantPolygala sibirica
PlantPolygala tenuifolia
PlantCannabis sativa
PlantCannabis sativa
PlantSesamum indicum
PlantPrunus laurocerasus
PlantLinum usitatissimum
PlantTaraxacum officinale
SemenJuglans regia
PlantSilybum marianum
PlantHyoscyamus niger
PlantCapsicum annuum
PlantPrunus armeniaca
PlantPrunus persica
PlantPlantago major
PlantCotinus coggygria
PlantAnacyclus pyrethrum
PlantFoeniculum vulgare
PlantSalvia officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC501000000 nMAcyl coenzyme A:cholesterol acyltransferase 1P35610
IC501000000 nMAcyl coenzyme A:cholesterol acyltransferase 1P35610
IC5080000 nMCoagulation factor IIIP13726
Others19.5 %Cytochrome P450 19A1P11511
IC5032700 nMCytochrome P450 19A1P11511
Others99.3 %Cytochrome P450 19A1P11511
Others66.8 %Fatty acid binding protein adipocyteP15090
IC5026100 nMFatty acid binding protein adipocyteP15090
Potency19952.6 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency15848.9 nMHistone-lysine N-methyltransferase MLLQ03164
Potency28183.8 nMMicrotubule-associated protein tauP10636
EC5010410 nMHERGQ12809
Potency15848.9 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency15848.9 nMSerine-protein kinase ATMQ13315
Potency35481.3 nMBloom syndrome proteinP54132
Potency89125.1 nMLysine-specific demethylase 4AO75164
Potency31622.8 nMHistone acetyltransferase GCN5Q92830
Potency14575 nMATPase family AAA domain-containing protein 5Q96QE3
Potency29855.4 nMGemininO75496
Potency3162.3 nMGemininO75496
Potency37578 nMNuclear receptor ROR-gammaP51449
Potency35481.3 nMPeroxisome proliferator-activated receptor alphaQ07869
Potency35481.3 nMPeroxisome proliferator-activated receptor alphaQ07869
IC50600 nMPeroxisome proliferator-activated receptor alphaQ07869
IC505300 nMPeroxisome proliferator-activated receptor deltaQ03181
IC504100 nMPeroxisome proliferator-activated receptor gammaP37231
IC50600 nMPeroxisome proliferator-activated receptor alphaQ07869
IC508600 nMTelomerase reverse transcriptaseO14746
Others82.1 %Fatty acid binding protein adipocyteP15090
Ki1500 nMFatty acid binding protein adipocyteP15090