Gamma-Tocotrienol

HCID 5282349

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Grundinformationen

CAS: 14101-61-2
Standard-SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1
InChIKey: OTXNTMVVOOBZCV-WAZJVIJMSA-N
Summenformel: C28H42O2
Durchschnittliche Molmasse: 410,6 g/mol
Monoisotopische Masse: 410,31848058

Namen und Bezeichner

Bevorzugter Name: Gamma-Tocotrienol
IUPAC: (2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
Englischer Name: D-gamma-Tocotrienol
Summenformel: C28H42O2
Molmasse: 410.63

Namen und Synonyme

gamma-Tocotrienol14101-61-2185QAE24TRJ13.903C(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-olCHEBI:33277DTXSID1010199842H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (R-(E,E))-2H-1-BENZOPYRAN-6-OL, 3,4-DIHYDRO-2,7,8-TRIMETHYL-2-((3E,7E)-4,8,12-TRIMETHYL-3,7,11-TRIDECATRIEN-1-YL)-, (2R)-2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-2R,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-oltocotrienol, gamma

Weitere Namen anzeigen

γ-Tocotrienolγ-TocotrienolD-G-TOCOTRIENOLD-γ-TocotrienolGama-Tocotrienol(R)-gamma-Tocotrienol(-)-gamma-TocotrienolTOCOTRIENOL, D-GAMMA-Senecionine Impurity 4

(2R)-2,7,8-trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-2R,7,8-trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-2H-chromen-6-olRefChem:639608DTXCID901477841plastochromanol 8, plastochromanol 3604-216-1D-gamma-Tocotrienol

Datenbank-Bezeichner

CAS: 14101-61-2
PubChem CID: 5282349
DTXSID: DTXSID101019984
ChEMBL: CHEMBL120697
ChEBI: CHEBI:33277
UNII: 185QAE24TR
EC Number: 604-216-1
Nikkaji: J13.903C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 8,9
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 9
Schwere Atome: 30
Formalladung: 0
Komplexität: 625

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid

Kovats Retention Index · 2 Einträge

3170.9

3083

Physikochemische Eigenschaften

Siedepunkt: 530.8 · 530.8±49.0 °C(Predicted)
Dichte: 0.964 · 0.964±0.06 g/cm3(Predicted)
storage temp.: 20 °C · −20°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
pka: 11.05 · 11.05±0.40(Predicted)
Farbe: Very Dark Yellow
Biologische Quelle: Elaeis guineensis
Stabilität: Light Sensitive
Major Application: pharmaceutical (small molecule)vitamins, nutraceuticals, and natural products
InChIKey: OTXNTMVVOOBZCV-WAZJVIJMSA-N
SMILES: [C@@]1(C)(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)OC2=C(C)C(C)=C(O)C=C2CC1
LogP: 10.3 · 10.300 (est)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 104 of 104 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 104 of 104 reports by companies.；There are 0 notifications provided by 0 of 104 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk: 2
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular；Membrane

Anwendungen · 2 Einträge

Beschreibungγ-Tocotrienol is a form of vitamin E that has been found in rice bran and has diverse biological activities. It reduces cell death induced by hydrogen peroxide, paraquat, S-nitrocysteine, SIN-1 , or L-buthionine-(S,R)-sulfoximine (BSO; ) in rat striatal cultures when used at concentrations ranging from 0.1 to 10 μM. γ-Tocotrienol (20 μM) induces apoptosis in malignant sympathoadrenal (+SA) mouse mammary epithelial cells. In vivo, γ-tocotrienol (15, 30, and 150 mg/kg) reduces blood pressure and plasma lipid peroxide levels in spontaneously hypertensive rats. [Matreya, LLC. Catalog No. 2111]

Verwendenγ-Tocotrienol exhibits antioxidant properties and belongs to the vitamin E family. It is naturally found in wheat germ oil and bran. In addition, α-tocopherol and γ-tocotrienol derivatives are potential lead compounds for developinganticancer andantiproliferative agents againstMCF-7 and MDA-MB-231 breast cancer cells and the A549 lung cancer cells.