Trismethoxyresveratrol

HCID 5388063CAS 22255-22-7
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Grundinformationen

Standard-SMILES
COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
InChIKey
GDHNBPHYVRHYCC-SNAWJCMRSA-N
Summenformel
C17H18O3
Durchschnittliche Molmasse
270,32 g/mol
Monoisotopische Masse
270,12559444

Überblick

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

Namen und Bezeichner

Bevorzugter Name
Trismethoxyresveratrol
IUPAC
1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
Englischer Name
3,4',5-TRIMETHOXY-TRANS-STILBENE
Summenformel
C17H18O3
Molmasse
270.32

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,1
Polarare Oberfläche (TPSA)
27,7 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
5
Schwere Atome
20

Physikochemische Eigenschaften

Schmelzpunkt
57 °C · 57°C
Siedepunkt
423.8 · 423.8±35.0 °C(Predicted)
Dichte
1.104 · 1.104±0.06 g/cm3(Predicted)
storage temp.
2 · Sealed in dry,2-8°C
Löslichkeit
34 mg/mL · DMSO: ≥34mg/mL
Aggregatzustand
powder to crystal

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

ridadr
UN 3077 9 / PGIII
hs_code
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

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibungtrans-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.

VerwendenA 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

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [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]
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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