ChemSpider 2D Image | 1-O-feruloyl-beta-D-glucose | C16H20O9

1-O-feruloyl-β-D-glucose

  • Molecular FormulaC16H20O9
  • Average mass356.325 Da
  • Monoisotopic mass356.110718 Da
  • ChemSpider ID26336946

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
1-O-feruloyl-β-D-glucose
64625-37-2 [RN]
trans-p-Feruloyl β-D-glucopyranoside
β-D-Glucopyranose, 1-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(E)-1-O-feruloyl-β-D-glucopyranose
(E)-4'-hydroxy-3'-methoxycinnamoyl-β-D-glucopyranose
More...
  • Miscellaneous

    • Chemical Class:

      A beta-D-glucoside resulting from the formal condensation of the carboxy group of ferulic acid with the anomeric hydroxy group of beta-D-glucose. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81321, CHEBI:81321

    • Compound Source:

      acylated cyanidin galactoside biosynthesis PlantCyc CPD-15281
      Aegilops tauschii PlantCyc CPD-15281
      amaranthin biosynthesis PlantCyc CPD-15281
      Amaranthus hypochondriacus PlantCyc CPD-15281
      Amborella trichopoda PlantCyc CPD-15281
      Ananas comosus PlantCyc CPD-15281
      Aquilegia coerulea PlantCyc CPD-15281
      Asparagus officinalis PlantCyc CPD-15281
      Beta vulgaris subsp. vulgaris PlantCyc CPD-15281
      Brachypodium distachyon PlantCyc CPD-15281
      Calotropis gigantea PlantCyc CPD-15281
      Camptotheca acuminata PlantCyc CPD-15281
      Capsicum annuum PlantCyc CPD-15281
      Catharanthus roseus PlantCyc CPD-15281
      Chenopodium quinoa PlantCyc CPD-15281
      Cicer arietinum PlantCyc CPD-15281
      Citrus clementina PlantCyc CPD-15281
      Citrus sinensis PlantCyc CPD-15281
      cyanidin diglucoside biosynthesis (acyl-glucose dependent) PlantCyc CPD-15281
      Daucus carota subsp. sativus PlantCyc CPD-15281
      delphinidin diglucoside biosynthesis (acyl-glucose dependent) PlantCyc CPD-15281
      Dianthus caryophyllus PlantCyc CPD-15281
      Dioscorea rotundata PlantCyc CPD-15281
      Fragaria vesca subsp. vesca PlantCyc CPD-15281
      Glycine max PlantCyc CPD-15281
      Kalanchoe laxiflora PlantCyc CPD-15281
      lampranthin biosynthesis PlantCyc CPD-15281
      Linum usitatissimum PlantCyc CPD-15281
      Manihot esculenta PlantCyc CPD-15281
      Medicago truncatula PlantCyc CPD-15281
      Musa acuminata PlantCyc CPD-15281
      Panicum virgatum PlantCyc CPD-15281
      pelargonidin diglucoside biosynthesis (acyl-glucose dependent) PlantCyc CPD-15281
      Phaseolus vulgaris PlantCyc CPD-15281
      phenylpropanoids methylation (ice plant) PlantCyc CPD-15281
      Rosa chinensis PlantCyc CPD-15281
      Rosa multiflora PlantCyc CPD-15281
      Solanum lycopersicum PlantCyc CPD-15281
      Spinacia oleracea PlantCyc CPD-15281
      Spirodela polyrhiza PlantCyc CPD-15281
      Triticum aestivum PlantCyc CPD-15281
      Triticum urartu PlantCyc CPD-15281
      Vitis vinifera PlantCyc CPD-15281

    • Bio Activity:

      1-O-feruloyl-beta-D-glucose + betanin + betanin + 1-O-feruloyl-beta-D-glucose + H+ + H+ -> lampranthin II + D-glucopyranose PlantCyc CPD-15281
      1-O-feruloyl-beta-D-glucose + cyanidin-3-O-beta-D-glucoside + cyanidin-3-O-beta-D-glucoside + 1-O-feruloyl-beta-D-glucose -> cyanidin 3,5-di-O-beta-D-glucoside + ferulate PlantCyc CPD-15281
      amaranthin + 1-O-feruloyl-beta-D-glucose -> celosianin II + D-glucopyranose PlantCyc CPD-15281
      cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside) + 1-O-feruloyl-beta-D-glucose -> cyanidin O-O-[6-O-(6-O-feruloyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside] + D-glucopyranose + H+ PlantCyc CPD-15281
      cyanidin-3-O-beta-D-glucoside + 1-O-feruloyl-beta-D-glucose -> cyanidin 3,5-di-O-beta-D-glucoside + ferulate PlantCyc CPD-15281
      cyanidin-3-O-beta-D-glucoside + 1-O-feruloyl-beta-D-glucose -> cyanidin 3,7-di-O-beta-D-glucoside + ferulate PlantCyc CPD-15281
      delphinidin-3-O-beta-D-glucoside + 1-O-feruloyl-beta-D-glucose -> delphinidin 3,7-di O-beta-D-glucoside + ferulate PlantCyc CPD-15281
      pelargonidin-3-O-beta-D-glucoside + 1-O-feruloyl-beta-D-glucose -> pelargonidin 3,7-di-O-beta-D-glucoside + ferulate PlantCyc CPD-15281
      S-adenosyl-L-methionine + 1-O-caffeoyl-beta-D-glucose -> 1-O-feruloyl-beta-D-glucose + S-adenosyl-L-homocysteine + H+ PlantCyc CPD-15281

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

Density: 1.5±0.1 g/cm3
Boiling Point: 608.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 222.9±25.0 °C
Index of Refraction: 1.638
Molar Refractivity: 83.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.20
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.13
Polar Surface Area: 146 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 81.1±5.0 dyne/cm
Molar Volume: 233.3±5.0 cm3

Click to predict properties on the Chemicalize site


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