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Sophoricoside | 152-95-4

152-95-4
Product name:Sophoricoside
CAS No:152-95-4
MF:C21H20O10
MW:432.3775
MDL:MFCD01084295
CID:36612
PubChem ID:125307426
Introduction
Sophoricoside is an Isoflavone Glycoside isolated from Sophora japonica flower, which has anti-inflammatory, anti-cancer and immunosuppressive effects
Names and Identifiers
  • 5,7-dihydroxy-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
  • GENISTEIN-4'-GLUCOSIDE
  • GENISTEIN-4'-O-GLUCOSIDE
  • ISOGENISTIN
  • SOPHORICOSIDE
  • 4'-beta-D-glucopyranosyloxy-5,7-dihydroxyisoflavone
  • 3-[4-(β-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one,3-[4-(b-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-
  • Genistein 4'-β-D-glucopyranoside
  • SOPHORICOSIDE(GENISTEIN-4'-GLUCOSIDE)(P)
  • 4'-(β-D-Glucopyranosyloxy)-5,7-dihydroxyisoflavone
  • Genistein 4'-Glucoside
  • 5′,7′-Dihydroxy-4′-glucosyloxyisoflavone
  • Genistein-4′-O-glucoside
  • [ "" ]
  • SOLSTITIALIN A(SH)
  • Sophora glycosides
  • Sophoricoside ,98%
  • 4H-1-Benzopyran-4-one,3-[4-(β-
  • D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-
  • Sophoricoside, 98%, from Sophora japonica Linn.
  • S0835
  • 4'-(beta-D-Glucopyranosyloxy)-5,7-dihydroxyisoflavone
  • 5,7-dihydroxy-3-[4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
  • Genistein sophoricoside
  • 5',7'-Dihydroxy-4'-glucosyloxyisoflavone
  • J0407L5MGM
  • 5,7-dihydroxy-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4H-chromen-4-one
  • 4-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)phenyl beta-D-glucopyranoside
  • 3-{4-[(2S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tet
  • 5,7-Dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
  • Sophoricoside
  • BDBM50242276
  • 4H-1-BENZOPYRAN-4-ONE, 3-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-5,7-DIHYDROXY- SOPHORICOSIDE
  • AC-7997
  • UNII-J0407L5MGM
  • 3-{4-[(2S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydr opyran-2-yloxy)]phenyl}-5,7-dihydroxychromen-4-one
  • 5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
  • Genistein, 4'-beta-D-glucopyranoside
  • Genistein 4'-Beta-D-glucopyranoside
  • MFCD01075138
  • CHEMBL486626
  • 152-95-4
  • DTXSID601017840
  • NCGC00142616-01
  • SCHEMBL1156059
  • Genistein-4?-O-glucoside
  • Genistein sophoricoside [MI]
  • 3,4,5-trihydroxy-6-(hydroxymethyl)
  • AS-12103
  • tetrahydro-2H-pyran-2-yloxy)phenyl)-4H-chromen-4-one
  • Sophoricoside,(S)
  • W-201364
  • XG161814
  • (2S)-N-Boc-5-methylpyrrolidine-2-carboxylicacid
  • 100455-45-6
  • AKOS000272974
  • Q7563141
  • 4H-1-Benzopyran-4-one, 3-(4-(beta-D-glucopyranosyloxy)phenyl)-5,7-dihydroxy- sophoricoside
  • GENISTEIN, 4'-.BETA.-D-GLUCOPYRANOSIDE
  • CHEBI:188772
  • FT-0654659
  • HY-N0423
  • 5,7-dihydroxy-3-(4-((2S,3R,4S,5S,6R)-
  • MFCD01084295
  • CS-0008948
  • Q-100181
  • Genistein 4'-O-glucoside
  • Genistein 4'-O-glucoside
  • 4',5,7-Trihydroxyisoflavone 4'-O-glucoside
  • 4',5,7-Trihydroxyisoflavone 4'-O-glucoside
  • MDL:MFCD01084295
  • InChIKey:ISQRJFLLIDGZEP-CMWLGVBASA-N
  • Inchi:1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
  • SMILES:O1[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])O[H])O[H])O[H])O[H])OC1C([H])=C([H])C(C2=C([H])OC3=C([H])C(=C([H])C(=C3C2=O)O[H])O[H])=C([H])C=1[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 432.4g/mol
  • Surface Charge: 0
  • XLogP3: 0.9
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Rotatable Bond Count: 4
  • Monoisotopic Mass: 432.105647g/mol
  • Monoisotopic Mass: 432.105647g/mol
  • Topological Polar Surface Area: 166Ų
  • Heavy Atom Count: 31
  • Complexity: 675
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

  • LogP: 0.04990
  • PSA: 170.05000
  • Refractive Index: 1.5376 (estimate)
  • Boiling Point: 763.3°C at 760 mmHg
  • Melting Point: 297°C(lit.)
  • Flash Point: 271.5 °C
  • Color/Form: Powder
  • λmax: 271(MeOH)(lit.)
  • Specific Rotation: -31.1° (c=1, H20)
  • Density: 1.3597 (rough estimate)
Security Information
  • RTECS:AL7970000
  • WGK Germany:3
  • Safety Term:8
  • Safety Instruction:S26; S36; S45; S24/25
  • Packing Group:II
  • Packing Group:II
  • Risk Phrases:R23/24/25; R36/37/38
  • Hazard Level:8
  • Znak za nevarno blago: T T C C
  • Hazardous Material transportation number:UN 3276 6.1/PG 3
  • Hazard Statement:H302
  • Warning Statement:P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
  • Storage Condition:Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • Signal Word:Warning
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