Tocotrienol

HCID 9929901

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6829-55-6
표준 SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(O)ccc2O1
InChIKey: GJJVAFUKOBZPCB-ZGRPYONQSA-N
분자식: C26H38O2
평균 분자량: 382.6 g/mol
단동위원소 질량: 382.28718046

개요

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

이름 및 식별자

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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 8.2
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 9
무거운 원자 수: 28
형식 전하: 0
복잡도: 567

실험 및 물리화학적 성질

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

안전 및 규제

독성 정보

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

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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