Gingerol

C₁₇H₂₆O₄CAS 23513-14-6294.39 g/mol

Open in Covalent MOL file

Alcohol Ether Ketone Phenol

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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 10
Stereocentres: Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed75% of notifiers
H302 Harmful if swallowed21% of notifiers
H312 Harmful in contact with skin21.8% of notifiers
H315 Causes skin irritation99.2% of notifiers
H319 Causes serious eye irritation99.2% of notifiers
H332 Harmful if inhaled21.8% of notifiers
H335 May cause respiratory irritation98.4% of notifiers

Aggregated from 124 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

13 names · show all

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)-
(6)-Gingerol

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