Identification

PhytoHub ID
PHUB000616
Name
Gingerol ([6]-)
Systematic Name
Not Available
Synonyms
  • 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
CAS Number
Not Available
Average Mass
294.391
Monoisotopic Mass
294.183109317
Chemical Formula
C17H26O4
IUPAC Name
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
InChI Key
NLDDIKRKFXEWBK-AWEZNQCLSA-N
InChI Identifier
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
SMILES
CCCCC[C@H](O)CC(=O)CCC1=CC=C(O)C(OC)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
7.96e-02 g/l
LogS (ALOGPS)
-3.57
LogP (ALOGPS)
3.45
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
10
Polar Surface Area
66.76
Refractivity
83.10920000000002
Polarizability
33.756567459229316
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.7614721709918255
pKa (strongest acidic)
9.94587314690063
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra from Online Resources

Record IDSourceDescriptionView
CO000211MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
CO000212MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
CO000213MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
CO000214MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
CO000215MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra
JP007243MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010206MassBankEI-B Spectrum - -, [M]+*View Spectra
TY000084MassBankLC-ESI-ITTOF Spectrum - -, [M-H]-View Spectra
TY000242MassBankLC-ESI-ITTOF Spectrum - -, unspecifiedView Spectra

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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