(8)-Gingerol

C₁₉H₃₀O₄CAS 23513-08-8322.45 g/mol

Open in Covalent MOL file

Alcohol Ether Ketone Phenol

Properties

Molecular formula: C₁₉H₃₀O₄
Molar mass: 322.45 g/mol
Exact mass: 322.2144 Da
logP: 4.01Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 12
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation42.6% of notifiers
H317 May cause an allergic skin reaction57.4% of notifiers
H319 Causes serious eye irritation42.6% of notifiers
H335 May cause respiratory irritation42.6% of notifiers

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

23513-08-8

SMILES

CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1

InChIKey

BCIWKKMTBRYQJU-INIZCTEOSA-N

InChI

InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1

Weigh it out

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

Names and synonyms

8 names

[8]-Gingerol
3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-
3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)-
3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-
(5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone
(S)-(+)-[8]-Gingerol
(5S)-[8]-Gingerol
(S)-[8]-Gingerol

Work with (8)-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

(10)-Gingerol23513-15-7100 % similar Gingerol23513-14-698 % similar Paradol27113-22-074 % similar Tetrahydrocurcumin36062-04-163 % similar [8]-Shogaol36700-45-558 % similar [10]-Shogaol36752-54-258 % similar (6)-Shogaol555-66-856 % similar 4-Propylguaiacol2785-87-752 % similar

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

Elsewhere

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