ChemSpider 2D Image | 1-[3,10-Dihydroxy-12-(2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl)-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl]-2-propanyl benzoate | C44H38O14

1-[3,10-Dihydroxy-12-(2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl)-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl]-2-propanyl benzoate

  • Molecular FormulaC44H38O14
  • Average mass790.764 Da
  • Monoisotopic mass790.226135 Da
  • ChemSpider ID2437

More details:

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

1-[3,10-Dihydroxy-12-(2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl)-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl]-2-propanyl benzoate [ACD/IUPAC Name]
1-[3,10-Dihydroxy-12-(2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl)-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl]-2-propanyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 1-[3,10-dihydroxy-12-(2-{[(4-hydroxyphénoxy)carbonyl]oxy}propyl)-2,6,7,11-tétraméthoxy-4,9-dioxo-4,9-dihydro-1-pérylényl]-2-propanyle [French] [ACD/IUPAC Name]
Carbonic acid, 2-[12-[2-(benzoyloxy)propyl]-4,9-dihydro-3,10-dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxo-1-perylenyl]-1-methylethyl 4-hydroxyphenyl ester [ACD/Index Name]
1-(3,10-DIHYDROXY-12-{2-[(4-HYDROXYPHENOXYCARBONYL)OXY]PROPYL}-2,6,7,11-TETRAMETHOXY-4,9-DIOXO-4,9-DIHYDROPERYLEN-1-YL)PROPAN-2-YL BENZOATE
1-[3,10-DIHYDROXY-12-(2-{[(4-HYDROXYPHENOXY)CARBONYL]OXY}PROPYL)-2,6,7,11-TETRAMETHOXY-4,9-DIOXO-4,9-DIHYDROPERYLEN-1-YL]PROPAN-2-YL BENZOATE
121263-19-2 [RN]
122-71-4 [RN]
Calphostin C [Wiki]
CalphostinC
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Bio1_000129 [DBID]
Bio1_000618 [DBID]
Bio1_001107 [DBID]
Bio2_000240 [DBID]
Bio2_000720 [DBID]
CBiol_001843 [DBID]
KBio2_000240 [DBID]
KBio2_002808 [DBID]
KBio2_005376 [DBID]
KBio3_000479 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell signaling/Wnt signaling/β-catenin Hello Bio HB0160
      Enzymes/Kinase/PKC Hello Bio HB0160
      Enzymes/Kinase/Protein-serine/threonine kinase/General Hello Bio HB0160
      Potent and selective photo-activated PKC inhibitor (IC<sub>50</sub> = 50 nM). Antagonizes the Tcf/&beta;-catenin complex. Inhibits glioma tumour cell proliferation and protects the myocardium against ischemic injury. Hello Bio HB0160
      Potent, selective PKC inhibitor. Also antagonizes the Tcf/&beta;-catenin complex Hello Bio HB0160
      Type/Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB0160

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1037.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.0±3.0 kJ/mol
Flash Point: 316.4±27.8 °C
Index of Refraction: 1.708
Molar Refractivity: 207.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 7.03
ACD/BCF (pH 5.5): 129925.87
ACD/KOC (pH 5.5): 158248.59
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 44225.84
ACD/KOC (pH 7.4): 53866.70
Polar Surface Area: 194 Å2
Polarizability: 82.1±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 531.3±5.0 cm3

Click to predict properties on the Chemicalize site


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