CAS 607-80-7|5-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole|Fagarol|Sesamin(Fagarol)|asarinin|Sezamin|Sesamin|NSC 36403|d-Sesamin|(1S,3aR,4S,6aR)-...

基本信息

化学结构

分子式

C₂₀H₁₈O₆

分子量

354.35332

精确质量

354.1103383

电荷

InChI

InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1

InChIKey

PEYUIKBAABKQKQ-AFHBHXEDSA-N

Canonic Smiles

C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2

Isomeric Smiles

c12c(ccc(c1)[C@H]1OC[C@H]3[C@@H]1CO[C@@H]3c1cc3c(cc1)OCO3)OCO2

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.4466996

LogD (pH = 7.4)

2.4466996

Log P

2.4466996

摩尔折射率

89.7458

极化性

35.8571

极化表面积

55.38

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

asarinin

别名

FagarolSesamin(Fagarol)SezaminSesaminSesamin5,5'-(Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-1,3-benzodioxole(+)-Sesamin(1S,3aR,4S,6aR)-Tetrahydro-1,4-bis[3,4-(methylenedioxy)phenyl]-1H,3H-Furo[3,4-c]furanNSC 36403[1S-(1α,3aα,4α,6aα)]-5,5'-(Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-1,3-benzodioxoleTetrahydro-1,4-bis[3,4-(methylenedioxy)phenyl]-1H,3H-furo[3,4-c]furan(1S,3aR,4S,6aR)-5,5'-(Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-1,3-benzodioxoled-SesaminSesamin

IUPAC标准名

5-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID

数据登录号

化合物性质

产品相关信息

成盐信息

Free Base

运输包装

wet ice

Empirical Formula (Hill Notation)

C20H18O6

纯度

≥95%

≥98.0% (HPLC)

有效期

(limited shelf life, expiry date on the label)

级别

analytical standard

质检报告

下载链接

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

Selleck Chemicals

S2392

Research Area: Metabolic Disease
Biological Activity:
Sesamin(Fagarol) is a lignan isolated from the bark of Fagara plants and from sesame oil. It has been used as a dietary fat-reduction supplement. Sesamin truly increases fat metabolism. [1]

Sigma Aldrich

S9314

Biochem/physiol Actions
Non-competitive Δ5-desaturase inhibitor.

59867

Biochem/physiol Actions
Non-competitive Δ5-desaturase inhibitor.

TRC

S280500

A lignan isolated from the bark of Fagara plants and from sesame oil. Studies show that it has has multiple functions such as cholesterol-lowering and anti-hypertensive activities. It induces the expression of the gene for aldehyde dehydrogenase, an alcoh

描述信息

参考文献

PubChem文献

数据源提供

• http://en.wikipedia.org/wiki/Sesamin

• Matsumura, Y. et al.: Biolog. Pharmac. Bull., 21, 469 (1998)

• Tsuruoka, N. et al.: Biosci. Biotechnol. Biochem., 69, 179 (1998)

• Ide, T. et al.: Biochim. Biophys. Acta Mol. Cell Biol. Lipids, 1534, 1 (1998)

参考文献

生物活性

PubChem BioAssay

生物活性