하이드록시타이로솔

Hydroxytyrosol

HCID 82755CAS 10597-60-1

기본 정보

표준 SMILES
OCCc1ccc(O)c(O)c1
InChIKey
JUUBCHWRXWPFFH-UHFFFAOYSA-N
분자식
C8H10O3
평균 분자량
154.16 g/mol
단동위원소 질량
154.06299418

개요

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.

이름 및 식별자

우선 이름
Hydroxytyrosol
IUPAC
4-(2-hydroxyethyl)benzene-1,2-diol
현지명
하이드록시타이로솔
영어명
Hydroxytyrosol
분자식
C8H10O3
분자량
154.16

이름 및 동의어

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
이름 더 보기
하이드록시타이로솔3,4-DIHYDROXYPHENYLETHYL ALCOHOLDopaolHydroxytyrosoDihydroxyphenylethanol
DTXCID7069942600-704-34-(3-hydroxypropyl)benzene-1,2-dioldopet3,4-Dihydroxyphenethyl Alcohol3-Hydroxytyrosol3,4-Dihydroxyphenethylalcohol1,2-Benzenediol, 4-(2-hydroxyethyl)-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
-0.7
극성 표면적
60.7 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
11

실험 및 물리화학적 성질

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

물리화학적 성질

끓는 점
355.4 · 355.4±27.0 °C(Predicted)
밀도
1.321 · 1.321±0.06 g/cm3(Predicted)
굴절률
1.581 · 1.5810-1.5860
저장 조건
-20 °C · -20°C
용해도
아세토니트릴(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
9.72 · 9.72±0.10(Predicted)
화학적 성질 · 1건

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.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)

안전 데이터

wgk
3
HS 번호
29072990
risk_code
36/37/38
hazard_code
Xi
safety_code
26
Hazard Classifications
Acute Tox. 4 Oral

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

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.

응용 분야 · 1건

일반 설명Hydroxytyrosol, 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.

공급사50 곳

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]
추가 설명 · 1건

정의ChEBI: 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.

관련 반응

2건

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