2-(3,4-ジヒドロキシフェニル)エチルアルコール

Hydroxytyrosol

HCID 82755CAS 10597-60-1
部分構造検索類似構造を探す

基本情報

標準SMILES
OCCc1ccc(O)c(O)c1
InChIKey
JUUBCHWRXWPFFH-UHFFFAOYSA-N
分子式
C8H10O3
平均分子量
154.16 g/mol
単同位体質量
154.06299418

概要

Hydroxytyrosol is a member of the class of catechols that is benzene-1,2-diol substituted by a 2-hydroxyethyl group at position 4. Isolated from Olea europaea, it exhibits antioxidant and antineoplastic activities. It has a role as an antioxidant, a metabolite and an antineoplastic agent. It is a primary alcohol and a member of catechols. It is functionally related to a 2-(4-hydroxyphenyl)ethanol.

名称と識別子

優先名称
Hydroxytyrosol
IUPAC
4-(2-hydroxyethyl)benzene-1,2-diol
現地名
2-(3,4-ジヒドロキシフェニル)エチルアルコール
英語名
Hydroxytyrosol
分子式
C8H10O3
分子量
154.16

名称と別名

Hydroxytyrosol10597-60-13,4-Dihydroxyphenylethanol4-(2-hydroxyethyl)benzene-1,2-diol2-(3,4-Dihydroxyphenyl)ethanol4-(2-hydroxyethyl)-1,2-BenzenediolHomoprotocatechuyl alcoholQEU0NE4O90CHEBI:68889DTXSID70147451RefChem:7895763,4-DHPEA
名称をさらに表示
2-(3,4-ジヒドロキシフェニル)エチルアルコール3,4-ジヒドロキシフェネチルアルコールヒドロキシチロソール4-(2-ヒドロキシエチル)ベンゼン-1,2-ジオール2-(3,4-ジヒドロキシフェニル)エタノール4-(2-ヒドロキシエチル)-1,2-ベンゼンジオール4-(2-ヒドロキシエチル)カテコール3,4-ジヒドロキシベンゼンエタノール4-(2-ヒドロキシエチル)ピロカテコール3,4-ジヒドロキシフェニルエタノールヒドロキシチロスオール3-ヒドロキシチロソール4-ヒドロキシチロソール3,4-DIHYDROXYPHENYLETHYL ALCOHOLDopaolHydroxytyrosoDihydroxyphenylethanol
DTXCID7069942600-704-34-(3-hydroxypropyl)benzene-1,2-dioldopet3,4-Dihydroxyphenethyl Alcohol3-Hydroxytyrosol3,4-Dihydroxyphenethylalcohol1,2-Benzenediol, 4-(2-hydroxyethyl)-

データベース識別子

CAS
10597-60-1
PubChem CID
82755
DTXSID
DTXSID70147451
ChEMBL
CHEMBL1950045
ChEBI
CHEBI:68889
UNII
QEU0NE4O90
EC Number
600-704-3
Nikkaji
J246.008D

物性

構造計算による物性

XLogP
-0.7
極性表面積
60.7 Ų
水素結合供与体数
3
水素結合受容体数
3
回転可能結合数
2
重原子数
11

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15
LogP0.09
Physical DescriptionSolid
Collision Cross Section130.6 Ų [M-H]-

物理化学的性質

沸点
355.4 · 355.4±27.0 °C(Predicted)
比重(密度)
1.321 · 1.321±0.06 g/cm3(Predicted)
屈折率
1.581 · 1.5810-1.5860
貯蔵温度
-20 °C · -20°C
溶解性
アセトニトリル（微量）、DMSO（微量）、酢酸エチル（微量）、メタノール（微量）
酸解離定数(Pka)
9.72 · 9.72±0.10(Predicted)
化学的性質 · 1 件

化学的特性Brown oil is derived from Olea europaea leaves and is soluble in methanol, DMSO, and other solvents but insoluble in petroleum ether, ether, and chloroform. The molecular structure of hydroxytyrosol is created by replacing the hydrogen atom on the methyl group of ethanol with catechol. It possesses an alcohol hydroxyl group in the chain of ethanol with a benzene ring, along with phenolic hydroxyl groups like other phenolic substances. Its antioxidant activity is closely linked to its structure.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (89.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Regulation (EC) No 258/1997

Status: Active Update: 22-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34494

Hazard Classes and CategoriesSkin Irrit. 2 (89.8%)

安全データ

wgk
3
hs_code
29072990
risk_code
36/37/38
消防法
危-4-4-III
hazard_code
Xi
safety_code
26

化学と産業

薬理情報

MeSH Pharmacological Classification · 3 件

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.

応用分野 · 1 件

一般的な説明Hydroxytyrosol, found in olives, is a potent antioxidant in our bodies. It is considered one of the most powerful antioxidants, with an oxygen radical absorption capacity of about 4,500,000 μmolTE/100g. This is 10 times greater than green tea and more than double the antioxidant capacity of CoQ10 and oak extract. Hydroxytyrosol is used in cardiovascular drugs, and has miraculous effects on the prevention and treatment of arteriosclerosis, hypertension, heart disease, cerebral hemorrhage, etc., and is superior to similar drugs. It can also Inhibits the proliferation rate of cancer cells and induces apoptosis of cancer cells.

上流・下流製品情報

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
補足説明 · 2 件

定義本品は、次の化学式で表される有機化合物である。

定義ChEBI: Hydroxytyrosol is a member of the class of catechols that is benzene-1,2-diol substituted by a 2-hydroxyethyl group at position 4. Isolated from Olea europaea, it exhibits antioxidant and antineoplastic activities. It has a role as a metabolite, an antioxidant and an antineoplastic agent. It is a member of catechols and a primary alcohol. It derives from a 2-(4-hydroxyphenyl)ethanol.

関連反応

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