ChemSpider 2D Image | prenylterphenyllin | C25H26O5

prenylterphenyllin

  • Molecular FormulaC25H26O5
  • Average mass406.471 Da
  • Monoisotopic mass406.178009 Da
  • ChemSpider ID23076561

More details:

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

[1,1':4',1''-Terphenyl]-2',4,4''-triol, 3',6'-dimethoxy-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
3',6'-Dimethoxy-3-(3-methyl-2-buten-1-yl)-1,1':4',1''-terphenyl-2',4,4''-triol [German] [ACD/IUPAC Name]
3',6'-Dimethoxy-3-(3-methyl-2-buten-1-yl)-1,1':4',1''-terphenyl-2',4,4''-triol [ACD/IUPAC Name]
3',6'-Diméthoxy-3-(3-méthyl-2-butén-1-yl)-1,1':4',1''-terphényl-2',4,4''-triol [French] [ACD/IUPAC Name]
959124-85-7 [RN]
prenylterphenyllin
3',6'-dimethoxy-3-(3-methylbut-2-en-1-yl)-1,1':4',1''-terphenyl-2',4,4''-triol
  • Miscellaneous

    • Chemical Class:

      A <ital>para</ital>-terphenyl that is 1,1<apostrophe/>:4<apostrophe/>,1<apostrophe/><apostrophe/>-terphenyl substituted by methoxy groups at positions 3<apostrophe/> and 6<apostrophe/>, a prenyl group at position 3 and hydroxy groups at positions 2<apostrophe/>, 4 and 4<apostrophe/><apostrophe/>. Isolated from the fungus, <ital>Aspergillus taichungensis</ital>, it exhibits cytotoxic activity. ChEBI CHEBI:67533
      A para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6', a prenyl group at position 3 and hydroxy groups at positions 2', 4 and 4''. Isolated from the fungu s, Aspergillus taichungensis, it exhibits cytotoxic activity. ChEBI CHEBI:67533
      A para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6', a prenyl group; at position 3 and hydroxy groups at positions 2', 4 and 4''. Isolated from the fun gus, Aspergillus taichungensis, it exhibits cytotoxic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67533

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 280.8±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 993.46
ACD/KOC (pH 5.5): 4861.65
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 892.50
ACD/KOC (pH 7.4): 4367.60
Polar Surface Area: 79 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 339.0±3.0 cm3

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