chempirical

Gingerol

C17H26O4CAS 23513-14-6294.39 g/mol

Open in Covalent MOL file
HOOOHO
AlcoholEtherKetonePhenol

Properties

Molecular formula
C17H26O4
Molar mass
294.39 g/mol
Exact mass
294.1831 Da
Melting point
31 °C
logP
3.23Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
23513-14-6
SMILES
CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1
InChIKey
NLDDIKRKFXEWBK-AWEZNQCLSA-N
InChI
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-
  • 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)-
  • 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-
  • (5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone
  • (+)-[6]-Gingerol
  • [6]-Gingerol
  • (+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone
  • (S)-(+)-[6]Gingerol
  • (S)-[6]Gingerol
  • (5S)-[6]-Gingerol
  • (5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
  • 3-Decanone 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-

Work with Gingerol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[8]-Gingerol23513-08-898 % similar [10]-Gingerol23513-15-798 % similar Paradol27113-22-072 % similar Tetrahydrocurcumin36062-04-162 % similar [6]-Shogaol555-66-857 % similar [8]-Shogaol36700-45-556 % similar [10]-Shogaol36752-54-256 % similar 4-Propylguaiacol2785-87-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Embelin550-24-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia