ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside | C26H28O10

5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC26H28O10
  • Average mass500.495 Da
  • Monoisotopic mass500.168243 Da
  • ChemSpider ID4587709

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
8-((2E)-3-Methylbut-2-enyl)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methylperhydropyran-2-yloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
[55395-07-8] [RN]
4H-1-Benzopyran-4-one, 3-((6-deoxy-α-L-mennopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-8-(3-METHYLBUT-2-EN-1-YL)-3-{[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}CHROMEN-4-ONE
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS096045 [DBID]
AIDS-096045 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      IKarisoside A(Icarisoside-A) is a natural compound isolated from Epimedium koreanum (Berberidaceae); has anti-inflammatory properties. MedChem Express
      IKarisoside A(Icarisoside-A) is a natural compound isolated from Epimedium koreanum (Berberidaceae); has anti-inflammatory properties.; IC50 value:; Target: ; in vitro: Ikarisoside A inhibited the exp ression of LPS-stimulated inducible nitric oxide synthase (iNOS) and the production of nitric oxide (NO) in LPS-stimulated RAW 264.7 cells and mouse bone marrow-derived macrophages (BMMs) in a concent ration-dependent manner. MedChem Express HY-N0875
      IKarisoside A(Icarisoside-A) is a natural compound isolated from Epimedium koreanum (Berberidaceae); has anti-inflammatory properties.;IC50 value:;Target: ;In vitro: Ikarisoside A inhibited the expression of LPS-stimulated inducible nitric oxide synthase (iNOS) and the production of nitric oxide (NO) in LPS-stimulated RAW 264.7 cells and mouse bone marrow-derived macrophages (BMMs) in a concentration-dependent manner. In addition, Ikarisoside A reduced the release of pro-inflammatory cytokines, such as tumor necrosis factor-alpha (TNF-alpha) and interleukin-1 beta (IL-1 beta). Furthermore, Ikarisoside A inhibited the activity of p38 kinase and nuclear factor-kappaB (NF-kappaB) [1]. Ikarisoside A is a potent inhibitor of osteoclastogenesis in RANKL-stimulated RAW 264.7 cells as well as in bone marrow-derived macrophages.The inhibitory effect of Ikarisoside A resulted in decrease of osteoclast-specific genes like matrix metalloproteinase 9 (MMP9), tartrate-resistant acid phosphatase MedChem Express HY-N0875
      Others MedChem Express HY-N0875

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 782.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 264.7±26.4 °C
Index of Refraction: 1.697
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 58.50
ACD/KOC (pH 5.5): 610.17
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 3.64
ACD/KOC (pH 7.4): 37.96
Polar Surface Area: 166 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 85.6±5.0 dyne/cm
Molar Volume: 326.3±5.0 cm3

Click to predict properties on the Chemicalize site


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