ChemSpider 2D Image | Baohuoside I | C27H30O10

Baohuoside I

  • Molecular FormulaC27H30O10
  • Average mass514.521 Da
  • Monoisotopic mass514.183899 Da
  • ChemSpider ID4590001
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

113558-15-9 [RN]
4H-1-Benzopyran-4-one, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-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-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside
6-Désoxy-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Baohuoside I
Icariside II
[113558-15-9]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A glycosyloxyflavone that is 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone in which the hydroxy group at position 3 has been converted to its <stereo>alpha</stereo>-<stereo>L</stereo>-rhamnopyranoside. ChEBI CHEBI:82619
      A glycosyloxyflavone that is 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone in which the hydroxy group at position 3 has been converted to its alpha-L-rhamnopyranoside. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82619
    • Bio Activity:

      Apoptosis MedChem Express HY-N0011
      Apoptosis inducer MedChem Express HY-N0011
      Apoptosis inducer CXCR MedChem Express HY-N0011
      Apoptosis; GPCR/G protein; Immunology/Inflammation; MedChem Express HY-N0011
      Baohuoside I (Icariside-II) is a component of Epimedium koreanum; a regulator of CXCR4 expression as well as function in cervical cancer and breast cancer cells; Apoptosis inducer. MedChem Express
      Baohuoside I (Icariside-II) is a component of Epimedium koreanum; a regulator of CXCR4 expression as well as function in cervical cancer and breast cancer cells; Apoptosis inducer.; IC50 value:; Targe t: CXCR4 expression regulator; in vitro: Baohuoside I downregulated CXCR4 expression in a dose- and time-dependent manner in HeLa cells [1]. MedChem Express HY-N0011

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 759.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 253.9±26.4 °C
Index of Refraction: 1.666
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 122.52
ACD/KOC (pH 5.5): 1034.32
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 7.43
ACD/KOC (pH 7.4): 62.75
Polar Surface Area: 155 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 351.1±5.0 cm3

Click to predict properties on the Chemicalize site






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