Phyto4Health

Decanoic Acid

Representations & DB's id
ChEBI: CHEBI:30813
ChEMBL: CHEMBL107498
PubChem: 2969
IUPAC: decanoic acid
Standard InChI: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
Standard InChI Key: GHVNFZFCNZKVNT-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(=O)O

Molecular propeties
AlogP: 3.21
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 8
Number of rings: 0
Molecular Weight: 172.15
Topological polar surface area: 37.3
Number of aromatic rings: 0
Fsp3: 0.9
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
RadixPanax ginseng
ImmaturusCitrus unshiu
FlowerCrocus sativus
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency31622.8 nMThyroid stimulating hormone receptorP16473
Potency31622.8 nMThyroid stimulating hormone receptorP16473
Others80 pm/min/mgUDP-glucuronosyltransferase 1-3P35503
Others0 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others19 pm/min/mgUDP-glucuronosyltransferase 1-8Q9HAW9
Potency145.8 nMGemininO75496
Potency84126.7 nMNuclear receptor ROR-gammaP51449
IC5030000 nMPeroxisome proliferator-activated receptor deltaQ03181
IC5030000 nMPeroxisome proliferator-activated receptor gammaP37231
IC5030000 nMPeroxisome proliferator-activated receptor alphaQ07869