CAS 4547-85-7 Isosalipurposide (HCID 5318659)

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Grundinformationen

CAS: 4547-85-7
Standard-SMILES: O=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: WQCWELFQKXIPCN-JSYAWONVSA-N
Summenformel: C21H22O10
Durchschnittliche Molmasse: 434,4 g/mol
Monoisotopische Masse: 434,12129689

Überblick

Phlorizin chalcone is a monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 4, 4' and 6 and a beta-D-glucopyranosyloxy group at position 2' respectively. It has a role as an antioxidant and a plant metabolite. It is a beta-D-glucoside, a member of chalcones, a member of resorcinols and a monosaccharide derivative. It is functionally related to a trans-chalcone.

Namen und Bezeichner

Bevorzugter Name: Isosalipurposide
IUPAC: (E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Englischer Name: isosalipurposide
Summenformel: C21H22O10
Molmasse: 434.39

Namen und Synonyme

IsosalipurposidePhlorizin chalcone4547-85-7iso-salipurposideDTXSID801316840CHEBI:80486(E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one(E)-1-(2,4-dihydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-oneRefChem:149946DTXCID901746666(E)-1-(2,4-dihydroxy-6-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-oneChalcone 2'-O-glucoside

Weitere Namen anzeigen

isosalipurpurosideChalcononarigenin 2'-glucoside2',4',6',4-tetrahydroxychalcone 2'-O-β-D-glucoside(E)-2'-(β-D-Glucopyranosyloxy)-4,4',6'-trihydroxychalcone(E)-3-(4-Hydroxyphenyl)-1-(2-β-D-glucopyranosyloxy-4,6-dihydroxyphenyl)-2-propene-1-one2-Propen-1-one, 1-[2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)-

2-Propen-1-one, 1-(2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl beta-D-glucopyranosideorb1696898CHEMBL2430461Isosalipurposide - API StandardsLMPK12120250MSK186055AKOS040752128

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 177 Å²
H-Brücken-Donoren: 7
H-Brücken-Akzeptoren: 10
Frei drehbare Bindungen: 6
Schwere Atome: 31
Formalladung: 0
Komplexität: 619

Experimentelle und physikochemische Eigenschaften

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]

Physikochemische Eigenschaften

Schmelzpunkt: 172 · 172-173 °C
Siedepunkt: 771.8 · 771.8±60.0 °C(Predicted)
Dichte: 1.595 · 1.595±0.06 g/cm3(Predicted)
pka: 6.93 · 6.93±0.40(Predicted)
LogP: 0.39 · 0.390 (est)

Chemie und Industrie

Anwendungen

VerwendenIsosalipurposide is a plant metabolite and an antioxidant. A beta-D-glucoside and a monosaccharide derivative. Isosalipurposide has a cytoprotective effect against oxidative damage mediated through Nrf2 activation.

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天津普西唐生物医药科技有限公司010-60605840 · [email protected]

杭州杰恒化工有限公司0571-87396432 · [email protected]

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