Grundinformationen
- Standard-SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(O)ccc2O1- InChIKey
GJJVAFUKOBZPCB-ZGRPYONQSA-N- Summenformel
- C26H38O2
- Durchschnittliche Molmasse
- 382,6 g/mol
- Monoisotopische Masse
- 382,28718046
Überblick
(R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is a diterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- Tocotrienol
- IUPAC
- 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
Namen und Synonyme
TocotrienolTocotrienols6829-55-60867I0N41V2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-olDTXSID0010219382-methyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-olRefChem:933163KP2MW85SSQCHEBI:33235DTXCID201506851807-459-3
Weitere Namen anzeigen
CCRIS 7711UNII-0867I0N41V(R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol2-Methyl-2-(4,8,12-trimethyltrideca-3,7,11-trien-1-yl)chroman-6-ol97530-73-9Alpha tocotrienolCHEMBL120643SCHEMBL1448780
Datenbank-Bezeichner
- CAS
6829-55-6、97530-73-9- PubChem CID
- 9929901
- DTXSID
DTXSID601336446- ChEMBL
CHEMBL120643- ChEBI
CHEBI:197268- UNII
- 0867I0N41V
- EC Number
- 807-459-3
- Nikkaji
- J578.410G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8,2
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 567
Experimentelle und physikochemische Eigenschaften
CosmeticsCosmetic ingredients (Tocotrienols) -> CIR (Cosmetic Ingredient Review)
Sicherheit und Regulatorisches
Toxikologische Informationen
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Organic substances that are required in small amounts for maintenance and growth, but which cannot be manufactured by the human body.
Cellular LocationsExtracellular
Verwendung und Herstellung
UsesCIR ingredient: Tocotrienols
Zugehörige Reaktionen
7
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