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Isofraxidin | 486-21-5

Product name:Isofraxidin

CAS No:486-21-5
MF:C11H10O5
MW:222.1941
MDL:MFCD00221757
CID:37709
PubChem ID:329770006
Introduction
Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and invasion of human liver cancer cells Conclusion: isofraxidin inhibits ERK1 / 2 phosphorylation in hepatoma cells Isofraxidin attenuated the expression of iNOS and COX-2. Isofraxidin also inhibited the formation of tlr4/ myeloid differentiation protein 2 (MD-2) complex
Names and Identifiers
  • Isofraxidin
  • 7-hydroxy-6,8-dimethoxy-2h-1-benzopyran-2-on
  • 7-hydroxy-6,8-dimethoxy-2h-1-benzopyran-2-one
  • 7-hydroxy-6,8-dimethoxy-coumari
  • phytodolor
  • ISOFRAXIDINE
  • AKOS 243-93
  • 6,8-DIMETHOXY-7-HYDROXYCOUMARIN
  • 7-hydroxy-6,8-dimethoxychromen-2-one
  • ISOFRAXIDINE(AS) PrintBack
  • 6,8-Dimethoxyumbelliferone,7-Hydroxy-6,8-dimethoxychromen-2-one,7-Hydroxy-6,8-dimethoxycoumarin
  • 7-hydroxy-6,8-dimethoxy-chromen-2-one
  • 7-Hydroxy-6,8-dimethoxy-cumarin
  • Coumarin,7-hydroxy-6,8-dimethoxy
  • isoferaxidin
  • Umbelliferone,6,8-dimethoxy
  • 6,8-Dimethoxyumbelliferone
  • 7-Hydroxy-6,8-dimethoxycoumarin
  • [ "" ]
  • 草珊瑚提取物(异嗪皮啶)
  • Umbelliferone, 6,8-dimethoxy-
  • 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-
  • Coumarin, 7-hydroxy-6,8-dimethoxy-
  • 304915F056
  • Isofraxidin ,(S)
  • Isofraxidin, analytical standard
  • 7-Hydroxy-6,8-dimethoxychromen-2-one
  • Silicon dioxide
  • UNII-304915F056
  • AKOS000278010
  • DTXSID70197557
  • HOEVRHHMDJKUMZ-UHFFFAOYSA-N
  • CS-0009797
  • CHEMBL451518
  • 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one
  • s9240
  • SCHEMBL3924718
  • Q15426264
  • AC-8051
  • Q-100542
  • Calycanthogenol
  • NSC-324637
  • ISOFRAXIDIN B814484K143
  • C17480
  • 7-hydroxy-6,8-dimethoxy-chromen-2-one
  • Isofraxidin
  • FT-0698467
  • MFCD00221757
  • 486-21-5
  • BRN 0202652
  • 5-18-04-00332 (Beilstein Handbook Reference)
  • NS00134341
  • 6,8-dimethoxy-7-hydroxycoumarin
  • A827571
  • BS-42209
  • FT-0688350
  • CHEBI:81121
  • 7-hydroxy-6,8-dimethoxy-2H-chromen-2-one
  • CCG-266730
  • NSC 324637
  • NSC324637
  • Phytodolor
  • HY-N0774
  • 7-Hydroxy 6,8-dimethoxycoumarin
  • MDL:MFCD00221757
  • InChIKey:HOEVRHHMDJKUMZ-UHFFFAOYSA-N
  • Inchi:1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3
  • SMILES:O1C(C([H])=C([H])C2=C([H])C(=C(C(=C12)OC([H])([H])[H])O[H])OC([H])([H])[H])=O
  • BRN:0202652
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 222.19g/mol
  • Surface Charge: 0
  • XLogP3: 1.5
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Rotatable Bond Count: 2
  • Monoisotopic Mass: 222.052823g/mol
  • Monoisotopic Mass: 222.052823g/mol
  • Topological Polar Surface Area: 65Ų
  • Heavy Atom Count: 16
  • Complexity: 301
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • Tautomer Count: 5
  • Surface Charge: 0

Experimental Properties

  • LogP: 1.51580
  • PSA: 68.90000
  • Refractive Index: 1.587
  • Boiling Point: 452.1°C at 760 mmHg
  • Melting Point: 146-149°C
  • Flash Point: 183.2°C
  • Color/Form: Powder
  • Solubility: Not determined
  • Density: 1.3580
Security Information
  • RTECS:OY2300000
  • WGK Germany:3
  • Safety Instruction:S23; S28; S25
  • Risk Phrases:R20/21/22
  • Dangerous goods sign: Xn Xn
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Statement:H315; H319; H335
  • 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:2-8°C
  • Signal Word:Warning
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