ChemSpider 2D Image | Arctiin | C27H34O11

Arctiin

  • Molecular FormulaC27H34O11
  • Average mass534.552 Da
  • Monoisotopic mass534.210083 Da
  • ChemSpider ID90827
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-
2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)- [ACD/Index Name]
4-{[(3R,4R)-4-(3,4-Dimethoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-{[(3R,4R)-4-(3,4-Dimethoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-{[(3R,4R)-4-(3,4-Dimethoxybenzyl)-2-oxotetrahydrofuran-3-yl]methyl}-2-methoxyphenyl β-D-glucopyranoside
Arctigenin-4-glucoside
Arctiin [Wiki]
Arctiin (8CI)
β-D-Glucopyranoside de 4-{[(3R,4R)-4-(3,4-diméthoxybenzyl)-2-oxotétrahydro-3-furanyl]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
(-)-Arctiin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS002468 [DBID]
AIDS-002468 [DBID]
NSC 315527 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      P261; P262 Biosynth Q-100251
    • Bio Activity:

      Arctiin(NSC 315527), a plant lignan that can be extracted from the Arctium lappa (burdock) seeds, is a possible environmental endocrine disruptor compounds and have been shown to influence sex hormone metabolism as well as protein synthesis, steroid biosynthesis. ;IC50 Value:;Target: ;In vitro: Treatment of PC-3 cells with arctiin decreased the cell number in a concentration- and time-dependent manner in serum-containing condition. Arctiin preferentially induced cell detachment, but did not have anti-proliferation or cytotoxic effects in PC-3 cells. The arctiin-induced effect was inhibited by cycloheximide, indicating that protein synthesis was required [1]. Although arctiin, the active component of AL that has been described in the literature, was not able to reduce degranulation in RBL-2H3 cells, a single high-performance liquid chromatography (HPLC) fraction from the AL extract inhibited beta-hexosaminidase release (IC(50) = 22.2 microg/ml) [2]. The growth inhibition cause MedChem Express HY-N0034
      Arctiin(NSC 315527), a plant lignan that can be extracted from the Arctium lappa (burdock) seeds, is a possible environmental endocrine disruptor compounds and have been shown to influence sex hormone metabolism as well as protein synthesis, steroid biosynthesis. MedChem Express HY-N0034, http://www.medchemexpress.com/Costunolide.html
      Others MedChem Express HY-N0034

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 250.1±26.4 °C
Index of Refraction: 1.601
Molar Refractivity: 134.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.40
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.40
Polar Surface Area: 153 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 391.9±3.0 cm3

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