Grundinformationen
- Standard-SMILES
CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1- InChIKey
NLDDIKRKFXEWBK-AWEZNQCLSA-N- Summenformel
- C17H26O4
- Durchschnittliche Molmasse
- 294,4 g/mol
- Monoisotopische Masse
- 294,18310931
Überblick
Gingerol is a beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger. It has a role as an antineoplastic agent and a plant metabolite. It is a member of guaiacols and a beta-hydroxy ketone.
Namen und Bezeichner
- Bevorzugter Name
- (6)-Gingerol
- IUPAC
- (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
- Englischer Name
- 6-Gingerol
- Summenformel
- C17H26O4
- Molmasse
- 294.39
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
23513-14-6、58253-27-3- PubChem CID
- 442793
- DTXSID
DTXSID3041035- ChEMBL
CHEMBL402978- ChEBI
CHEBI:10136- UNII
- 925QK2Z900
- EC Number
- 607-241-6
- Nikkaji
- J46.683B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 293
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 31 ℃ · 31℃
- Siedepunkt
- 453 · 453.0±35.0 °C(Predicted)
- Dichte
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 1 mg/mL, · methanol: soluble1mg/mL, clear, colorless
- Aggregatzustand
- Pale yellow oil
- pka
- 10.02 · 10.02±0.20(Predicted)
- Farbe
- White to Light yellow
- Major Application
- cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care
- 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
- InChIKey
- NLDDIKRKFXEWBK-AWEZNQCLSA-N
- SMILES
- C(C1=CC=C(O)C(OC)=C1)CC(=O)C[C@@H](O)CCCCC
- LogP
- 2.485 · 2.485 (est)
- CAS Datenbank
- 23513 · 23513-14-6(CAS DataBase Reference)
- NIST chemische Informationen
- Gingerol(23513-14-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]
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, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 124 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 29145090
- RTECS-Nr.
- HE0757000
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36/37
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden[6]-Gingerol has been used:to study its effects on transient receptor potential (TRP) channelsto study its effects on experimental models of non-alcoholic steatohepatitisto determine its effects on microsomal prostaglandine E2 synthase 1 (mPGES-1), glycogen synthase kinase 3β (GSK-3β) and β-catenin pathway in A549 cell lineto analyse the effects of 6-Shogaol (6-SG) on diabetic nephropathy (DN) in db/db mice
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI:Gingerol is a beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger. It has a role as an antineoplastic agent and a plant metabolite. It is a beta-hydroxy ketone and a member of guaiacols.
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