ChemSpider 2D Image | (2E)-2-{6-[(E)-2-Carboxyvinyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)acrylic acid | C18H14O8

(2E)-2-{6-[(E)-2-Carboxyvinyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)acrylic acid

  • Molecular FormulaC18H14O8
  • Average mass358.299 Da
  • Monoisotopic mass358.068878 Da
  • ChemSpider ID28637835

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{6-[(E)-2-Carboxyvinyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)acrylic acid [ACD/IUPAC Name]
(2E)-2-{6-[(E)-2-Carboxyvinyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)acrylsäure [German] [ACD/IUPAC Name]
Acide (2E)-2-{6-[(E)-2-carboxyvinyl]-2,3-dihydroxyphényl}-3-(3,4-dihydroxyphényl)acrylique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 6-[(E)-2-carboxyethenyl]-α-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydroxy-, (αE)- [ACD/Index Name]
(?E)?-6-?[(1E)?-?2-?carboxyethenyl]?-??-?[(3,?4-?dihydroxyphenyl)?methylene]?-?2,?3-?dihydroxy-Benzeneacetic acid?
(2E)-2-{6-[(E)-2-Carboxyethenyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
(E)-2-[2,3-Dihydroxy-6-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
[1065559-56-9] [RN]
1065559-56-9 [RN]
88527-18-8 [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      ; MedChem Express HY-13056
      Others MedChem Express HY-13056
      SMND-309 is a novel derivative of salvianolic acid B, and has shown protective effects against rat cortical neuron damage in vitro and in vivo. MedChem Express HY-13056
      SMND-309 is a novel derivative of salvianolic acid B, and has shown protective effects against rat cortical neuron damage in vitro and in vivo. ;IC50 value:;Target: SMND-309 mitigated the effects of ischemia and reperfusion injury on brain by decreasing the infract volume, improving neurological function, increasing the survival of neurons and promoting angiogenesis by increasing the levels of erythropoietin (EPO), erythropoietin receptor (EPOR), phosphorylated JAK2 (P-JAK2), phosphorylated STAT3 (P-STAT3), VEGF and VEGF receptor 2 (Flk-1) in the brain. MedChem Express HY-13056

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

Density: 1.7±0.1 g/cm3
Boiling Point: 667.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 371.2±28.0 °C
Index of Refraction: 1.811
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 102.5±3.0 dyne/cm
Molar Volume: 216.5±3.0 cm3

Click to predict properties on the Chemicalize site


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