Gingerol ([6]-)
precursor
Showing entry for Gingerol ([6]-)
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
Structure for Gingerol ([6]-)
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
External Links
- ChEBI
- 10136
- PubChem
- 442793
- Chemistry Dashboard
- DTXSID3041035
- MetaboLights
- MTBLC10136
- PeakForestCompound
- 000478
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Miscellaneous polyphenols
- Sub-class
- Not Available
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| CO000211 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
| CO000212 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
| CO000213 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
| CO000214 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
| CO000215 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
| JP007243 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP010206 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| TY000084 | MassBank | LC-ESI-ITTOF Spectrum - -, [M-H]- | View Spectra |
| TY000242 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
Spectra from Phytohub
|
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