Phyto4Health

Dodecanoate

Representations & DB's id
ChEBI: CHEBI:30805
ChEMBL: CHEMBL108766
PubChem: 3893
IUPAC: dodecanoic acid
Standard InChI: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
Standard InChI Key: POULHZVOKOAJMA-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC(=O)O

Molecular propeties
AlogP: 3.99
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 10
Number of rings: 0
Molecular Weight: 200.18
Topological polar surface area: 37.3
Number of aromatic rings: 0
Fsp3: 0.917
Number of carbons: 12

Plant sources

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

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency12.6 nMThyroid stimulating hormone receptorP16473
Potency14125.4 nMAldehyde dehydrogenase 1A1P00352
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency12.6 nMThyroid stimulating hormone receptorP16473
Others114 pm/min/mgUDP-glucuronosyltransferase 1-3P35503
Others0 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others12 pm/min/mgUDP-glucuronosyltransferase 1-8Q9HAW9
Potency3981.1 nMGlucagon-like peptide 1 receptorP43220
Potency31622.8 nMGuanine nucleotide-binding protein G(s), subunit alphaP63092
Potency74978 nMInterleukin-8P10145
Potency66824.2 nMNuclear receptor ROR-gammaP51449
Potency29849.3 nMNuclear receptor ROR-gammaP51449
IC5030000 nMPeroxisome proliferator-activated receptor deltaQ03181
IC5030000 nMPeroxisome proliferator-activated receptor gammaP37231
IC5030000 nMPeroxisome proliferator-activated receptor alphaQ07869
EC507943.28 nMFree fatty acid receptor 1O14842
EC50758.58 nMFree fatty acid receptor 1O14842