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
Similar Structures

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
Miscellaneous polyphenols
Sub-class
Not Available

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

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