ChemSpider 2D Image | corynoxeine | C22H26N2O4

corynoxeine

  • Molecular FormulaC22H26N2O4
  • Average mass382.453 Da
  • Monoisotopic mass382.189270 Da
  • ChemSpider ID23341549

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(7β,16E,20α)-17-Méthoxy-2-oxocorynoxa-16,18-dién-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
630-94-4 [RN]
corynoxeine
Methyl (7β,16E,20α)-17-methoxy-2-oxocorynoxa-16,18-dien-16-carboxylate [ACD/IUPAC Name]
Methyl-(7β,16E,20α)-17-methoxy-2-oxocorynoxa-16,18-dien-16-carboxylat [German] [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(5'H)-indolizine]-7'-acetic acid, 6'-ethenyl-1,2,2',3',6',7',8',8'a-octahydro-α-(methoxymethylene)-2-oxo-, methyl ester, (αE,3R,6'R,7'S,8'aS)- [ACD/Index Name]
[630-94-4] [RN]
1443767-76-7 [RN]
27KIC0Q2VA
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL481358/
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Corynoxeine is a potent ERK1/2 inhibitor of key PDGF-BB-induced VSMC proliferation; a useful and prospective compound in the prevention and treatment for vascular diseases. MedChem Express
      Corynoxeine is a potent ERK1/2 inhibitor of key PDGF-BB-induced VSMC proliferation; a useful and prospective compound in the prevention and treatment for vascular diseases.; IC50 value:; Target: ERK1/2 inhibitor; Natural compound; in vitro: Pre-treatment of VSMCs with corynoxeine (5-50 microM) for 24 h resulted in significant decreases in cell number without any cytotoxicity; the inhibition percentages were 25.0+/-12.5, 63.0+/-27.5 and 88.0+/-12.5% at 5, 20 and 50 microM, respectively. MedChem Express HY-N0590
      Corynoxeine is a potent ERK1/2 inhibitor of key PDGF-BB-induced VSMC proliferation; a useful and prospective compound in the prevention and treatment for vascular diseases.;IC50 value:;Target: ERK1/2 inhibitor; Natural compound;In vitro: Pre-treatment of VSMCs with corynoxeine (5-50 microM) for 24 h resulted in significant decreases in cell number without any cytotoxicity; the inhibition percentages were 25.0+/-12.5, 63.0+/-27.5 and 88.0+/-12.5% at 5, 20 and 50 microM, respectively. Also, corynoxeine significantly inhibited the 50 ng/ml PDGF-BB-induced DNA synthesis of VSMCs in a concentration-dependent manner without any cytotoxicity; the inhibitions were 32.8+/-11.0, 51.8+/-8.0 and 76.9+/-7.4% at concentrations of 5, 20 and 50 microM, respectively [1]. MedChem Express HY-N0590
      ERK MedChem Express HY-N0590
      MAPK MedChem Express HY-N0590
      MAPK; MedChem Express HY-N0590

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.1±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.55
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 12.26
ACD/KOC (pH 7.4): 130.28
Polar Surface Area: 68 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 305.5±5.0 cm3

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