Tocotrienol

HCID 9929901

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6829-55-6
標準SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(O)ccc2O1
InChIKey: GJJVAFUKOBZPCB-ZGRPYONQSA-N
分子式: C26H38O2
平均分子量: 382.6 g/mol
単同位体質量: 382.28718046

概要

(R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is a diterpenoid.

名称と識別子

優先名称: Tocotrienol
IUPAC: 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 8.2
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 9
重原子数: 28
形式電荷: 0
複雑度: 567

実験および物理化学的性質

CosmeticsCosmetic ingredients (Tocotrienols) -> CIR (Cosmetic Ingredient Review)

安全と法規制

毒性情報

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

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

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