Phyto4Health

Retinol

Representations & DB's id
ChEBI: CHEBI:17336
ChEMBL: CHEMBL986
PubChem: 445354
IUPAC: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
Standard InChI: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
Standard InChI Key: FPIPGXGPPPQFEQ-OVSJKPMPSA-N
SMILES: OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C

Molecular propeties
AlogP: 5.51
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 5
Number of rings: 1
Molecular Weight: 286.23
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 0.5
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
PlantTaraxacum officinale
PlantTaraxacum officinale

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency25118.9 nMMicrotubule-associated protein tauP10636
Potency22387.2 nMMicrotubule-associated protein tauP10636
Potency25118.9 nMAldehyde dehydrogenase 1A1P00352
Potency5967.2 nMAldehyde dehydrogenase 1A1P00352
Potency28183.8 nMAldehyde dehydrogenase 1A1P00352
Potency12589.3 nMArachidonate 15-lipoxygenaseP16050
Potency31.6 nMMAP kinase ERK2P28482
Potency10000 nMUbiquitin carboxyl-terminal hydrolase 2O75604
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency15848.9 nMCytochrome P450 3A4P08684
Potency15848.9 nMCytochrome P450 3A4P08684
Kd182 nMPlasma retinol-binding proteinP02753
Others0 pm/min/mgUDP-glucuronosyltransferase 1A4P22310
Potency33498.3 nMGemininO75496
Potency42163.2 nMNuclear factor erythroid 2-related factor 2Q16236
Potency68589.6 nMNuclear factor erythroid 2-related factor 2Q16236
Potency29092.9 nMGemininO75496
Potency37578 nMInterleukin-8P10145
Potency47307.9 nMNuclear receptor ROR-gammaP51449