Trismethoxyresveratrol

HCID 5388063CAS 22255-22-7

기본 정보

표준 SMILES: COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
InChIKey: GDHNBPHYVRHYCC-SNAWJCMRSA-N
분자식: C17H18O3
평균 분자량: 270.32 g/mol
단동위원소 질량: 270.12559444

개요

(E)-3,5,4'-Trimethoxystilbene has been reported in Scirpoides holoschoenus, Dalea versicolor, and other organisms with data available.

이름 및 식별자

우선 이름: Trismethoxyresveratrol
IUPAC: 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
영어명: 3,4',5-TRIMETHOXY-TRANS-STILBENE
분자식: C17H18O3
분자량: 270.32

이름 및 동의어

TRISMETHOXYRESVERATROL1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene1,3-dimethoxy-5-((E)-2-(4-methoxyphenyl)ethenyl)benzeneRefChem:110053922255-22-7trans-Trimethoxyresveratrol(E)-1,3-Dimethoxy-5-(4-methoxystyryl)benzene3,4',5-trimethoxy-trans-stilbene3,4',5-trimethoxystilbeneTRIMETHOXYSTILBENE(E)-3,5,4'-TrimethoxystilbeneMFCD02093500

이름 더 보기

RP201772RP 201772RP-201772TriMethoxystibeneTRISMETHOXY RESVERATROLTri-O-methylresveratrolResveratrol three etherTrimethoxy-trans-stilbene

3,4`,5-Trimethoxy-trans-stilbeneE-Resveratrol trimethyl ether1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)vinyl]benzeneCHEMBL2964111,3-Dimethoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]benzeneBenzene, 1,3-dimethoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-NSC6313631,3-dimethoxy-5-[2-(4-methoxyphenyl)ethenyl]benzene

데이터베이스 식별자

CAS: 22255-22-7
PubChem CID: 5388063
DTXSID: DTXSID701034889
ChEMBL: CHEMBL296411
EC Number: 694-659-7
Nikkaji: J456.338G、J464.988E

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 27.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 283

물리화학적 성질

녹는점: 57 °C · 57°C
끓는 점: 423.8 · 423.8±35.0 °C(Predicted)
밀도: 1.104 · 1.104±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 34 mg/mL · DMSO: ≥34mg/mL
물리적 상태: powder to crystal
색상: 흰색에서 황갈색까지
InChI: InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
InChIKey: GDHNBPHYVRHYCC-SNAWJCMRSA-N
SMILES: C1(OC)=CC(/C=C/C2=CC=C(OC)C=C2)=CC(OC)=C1

화학적 성질

Pale Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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

ridadr: UN 3077 9 / PGIII
HS 번호: 2909.30.6000
risk_code: 36/37/38-50/53-41-37/38
hazard_code: Xi,N
safety_code: 26-36/37/39-61-60-39

화학 및 산업

응용 분야 · 2건

개요trans-trismethoxy Resveratrol is a polyketide synthase-derived stilbene originally isolated from Virola cuspidata that has diverse biological activities. It is cytotoxic to several cancer cell lines, including PC3, KB, HT-29, SW480, and HL-60 cells (IC50s =3.6, 10.2, 16.1, 54, and 2.5 μM, respectively). trans-trismethoxy Resveratrol (15 μM) inhibits TNF-α-induced activation of NF-κB in HEK293T cells in a reporter assay. It inhibits angiogenesis in zebrafish embryos when used at a concentration of 0.1 μM.

용도A resveratrol analog with a variety of pharmacology action, including anti-cancer properties, anti-allergic activity, estrogenic activity, antiangiogenic activity, and vascular-targeting activity against microtubule-destabilization

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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