Phyto4Health

Elcosanoic Acid

Representations & DB's id

ChEBI: CHEBI:28822
ChEMBL: CHEMBL1173381
PubChem: 10467
IUPAC: icosanoic acid
Standard InChI: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
Standard InChI Key: VKOBVWXKNCXXDE-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O

Molecular propeties

AlogP: 7.11
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 18
Number of rings: 0
Molecular Weight: 312.3
Topological polar surface area: 37.3
Number of aromatic rings: 0
Fsp3: 0.95
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
FructusPunica granatum
RadixPanax ginseng
RadixPanax ginseng
SemenCannabis sativa
PlantPrunus laurocerasus
ImmaturusCitrus unshiu
PlantOcimum gratissimum
SemenJuglans regia
PlantSilybum marianum
PlantSolanum dulcamara
FructusCapsicum annuum
PlantPrunus armeniaca
PlantSalvia officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5030000 nMPeroxisome proliferator-activated receptor deltaQ03181
IC5030000 nMPeroxisome proliferator-activated receptor gammaP37231
IC5030000 nMPeroxisome proliferator-activated receptor alphaQ07869