기본 정보
- CAS
55327-45-2- 표준 SMILES
OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
JAYVHSBYKLLDJC-DSNJPTTOSA-N- 분자식
- C20H22O9
- 평균 분자량
- 406.4 g/mol
- 단동위원소 질량
- 406.12638228
개요
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside is a stilbenoid that is trans-stilbene which has been substituted by hydroxy groups at positions 2, 3, 5, and 4', and in which the hydroxy group at positon 2 has then been converted to the corresponding the beta-D-glucoside. It has a role as an antioxidant, a platelet aggregation inhibitor, a cyclooxygenase 2 inhibitor, an anti-inflammatory agent, an apoptosis inhibitor and a cardioprotective agent. It is a beta-D-glucoside, a stilbenoid and a member of resorcinols.
이름 및 식별자
- 우선 이름
- 2,3,5,4'-Tetrahydroxystilbene-2-O-beta-D-glucoside
- IUPAC
- (2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- 2,3,5,4＇-Tetrahydroxy stilbene-2-Ο-β-D-glucoside
- 분자식
- C20H22O9
- 분자량
- 406.39
이름 및 동의어
82373-94-22,3,5,4'-tetrahydroxystilbene 2-O-beta-D-glucoside2,3,5,4'-Tetrahydroxystilbene-2-O-beta-D-glucoside54QRI6OKJ52,3,4',5-Tetrahydroxystilbene 2-o-D-glucosideCHEBI:140850DTXSID801242061(E)-2,3,5,4'-Tetrahydroxy stilbene-2-O-glucoside(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside2,3,4',5-tetrahydroxystilbene-2-O-beta-D-glucosidetrans-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucopyranoside2,4-Dihydroxy-6-((1E)-2-(4-hydroxyphenyl)ethenyl)phenyl beta-D-glucopyranoside
이름 더 보기
Tetrahydroxystilbene glucosideAstragalus polyphenolsHe Shou wu extract2,3,5,4'-Tetrahydroxystilbene 2-O-glucoside2,3,5,4＇-Tetrahydroxy stilbene-2-Ο-β-D-glucoside USP/EP/BP(2S,3R,4S,5S,6R)-2-(2,4-dihydroxy-6-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triolEH-201EH-201/THSGCHEMBL460860
beta-D-Glucopyranoside, 2,4-dihydroxy-6-((1E)-2-(4-hydroxyphenyl)ethenyl)phenylbeta-D-Glucopyranoside, 2,4-dihydroxy-6-(2-(4-hydroxyphenyl)ethenyl)phenyl, (E)-2,3,5,4'-TETRAHYDROXYSTILBENE-2-O-BETA-D-GLUCOSIDE (USP-RS)2,3,5,4'-TETRAHYDROXYSTILBENE-2-O-BETA-D-GLUCOSIDE [USP-RS]THSGRefChem:11133352,3,4',5-Tetrahydroxystilbene 2-O-beta-D-glucopyranoside2,4-Dihydroxy-6-((E)-2-(4-hydroxyphenyl)vinyl)phenyl beta-D-glucopyranoside
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 160 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 536
물리화학적 성질
- 끓는 점
- 715 · 715.0±60.0 °C(Predicted)
- 밀도
- 1.593 · 1.593±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: 용해성5mg/mL, 투명(따뜻한)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 8.78 · 8.78±0.40(Predicted)
- 색상
- 흰색에서 갈색으로
- 수용성
- 2 O: · H2O: 5mg/mL, clear (warmed)
- InChI
- InChI=1/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/s3
- InChIKey
- JAYVHSBYKLLDJC-BGLDUWRXNA-N
- SMILES
- O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C1C(=CC(O)=CC=1/C=C/C1C=CC(O)=CC=1)O |&1:1,2,3,5,7,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29389090
- risk_code
- 36/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요2,3,5,4'-Tetrahydroxystilbene 2-O-β-D-glucoside is derived from the root of Polygonaceae species Polygonum multiflorum and is a stilbene compound. It has antioxidant, hypotensive, anti-aging, anti-inflammatory, hypolipidemic, cardioprotective and neuroprotective effects. It can also inhibit the formation of 5-HETE, HHT and thromboxane B2.
용도2,3,4'',5-Tetrahydroxystilbene 2-O-Glucoside is a scavenging agent, that attenuates free radicals and upregulate antioxidant/detoxifying enzymes to protect against oxidative damage. It also protects UB/OC-2 cells from H2O2-induced autophagy and apoptosis in vitro.
일반 설명2,3,5,4′ -Tetrahydroxystilbene-2-O-beta-glucoside (THSG) is a Polygoni Multiflori based polyphenol.
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