ChemSpider 2D Image | cyanin betaine | C27H30O16

cyanin βine

  • Molecular FormulaC27H30O16
  • Average mass610.518 Da
  • Monoisotopic mass610.153381 Da
  • ChemSpider ID28533626

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3,5-bis(β-D-glucopyranosyloxy)-7-chromeniumolat [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3,5-bis(β-D-glucopyranosyloxy)-7-chromeniumolate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-3,5-bis(β-D-glucopyranosyloxy)-7-chroméniumolate [French] [ACD/IUPAC Name]
cyanin βine
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium-5-yl, inner salt [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-3,5-bis(β-D-glucopyranosyloxy)chromenium-7-olate
cyanidin 3,5-di-<;i>O</i>-&amp;β
cyanidin 3,5-di-<;i>O</i>-&amp;β;-D-glucoside
cyanidin 3,5-di-O-β-D-glucoside
cyanidin 3,5-di-O-β-D-glucoside βine
More...
  • Miscellaneous

    • Chemical Class:

      An oxonium betaine that is the conjugate base of cyanin, arising from regioselective deprotonation of the 7-hydroxy group. Major structure at pH 7.3 ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71511, CHEBI:71511

    • Compound Source:

      Aegilops tauschii PlantCyc CPD-7138
      Amaranthus hypochondriacus PlantCyc CPD-7138
      Amborella trichopoda PlantCyc CPD-7138
      Ananas comosus PlantCyc CPD-7138
      Aquilegia coerulea PlantCyc CPD-7138
      Arabidopsis thaliana col PlantCyc CPD-7138
      Asparagus officinalis PlantCyc CPD-7138
      Brachypodium distachyon PlantCyc CPD-7138
      Brassica rapa FPsc PlantCyc CPD-7138
      Camptotheca acuminata PlantCyc CPD-7138
      Cannabis sativa PlantCyc CPD-7138
      Capsicum annuum PlantCyc CPD-7138
      Catharanthus roseus PlantCyc CPD-7138
      Chenopodium quinoa PlantCyc CPD-7138
      Citrus sinensis PlantCyc CPD-7138
      Corchorus capsularis PlantCyc CPD-7138
      Cucumis sativus PlantCyc CPD-7138
      cyanidin diglucoside biosynthesis (acyl-glucose dependent) PlantCyc CPD-7138
      Dianthus caryophyllus PlantCyc CPD-7138
      Dioscorea rotundata PlantCyc CPD-7138
      Eucalyptus grandis PlantCyc CPD-7138
      Fragaria vesca subsp. vesca PlantCyc CPD-7138
      Glycine max PlantCyc CPD-7138
      Hordeum vulgare subsp. vulgare PlantCyc CPD-7138
      Kalanchoe fedtschenkoi PlantCyc CPD-7138
      Kalanchoe laxiflora PlantCyc CPD-7138
      Leersia perrieri PlantCyc CPD-7138
      Linum usitatissimum PlantCyc CPD-7138
      Lotus japonicus PlantCyc CPD-7138
      Medicago truncatula PlantCyc CPD-7138
      Mimulus guttatus PlantCyc CPD-7138
      Miscanthus sinensis PlantCyc CPD-7138
      Musa acuminata PlantCyc CPD-7138
      Olea europaea var. sylvestris PlantCyc CPD-7138
      Oropetium thomaeum PlantCyc CPD-7138
      Oryza brachyantha PlantCyc CPD-7138
      Oryza punctata PlantCyc CPD-7138
      Oryza sativa Japonica Group PlantCyc CPD-7138
      Panicum hallii PlantCyc CPD-7138
      Panicum virgatum PlantCyc CPD-7138
      Petunia axillaris PlantCyc CPD-7138
      Phaseolus vulgaris PlantCyc CPD-7138
      Rosa chinensis PlantCyc CPD-7138
      Rosa multiflora PlantCyc CPD-7138
      rose anthocyanin biosynthesis I (via cyanidin 5-O-beta-D-glucoside) PlantCyc CPD-7138
      rose anthocyanin biosynthesis II (via cyanidin 3-O-beta-D-glucoside) PlantCyc CPD-7138
      Salvia miltiorrhiza PlantCyc CPD-7138
      Setaria italica PlantCyc CPD-7138
      Setaria viridis PlantCyc CPD-7138
      shisonin biosynthesis PlantCyc CPD-7138
      Solanum lycopersicum PlantCyc CPD-7138
      Solanum melongena PlantCyc CPD-7138
      Solanum tuberosum PlantCyc CPD-7138
      Sorghum bicolor PlantCyc CPD-7138
      Spinacia oleracea PlantCyc CPD-7138
      Spirodela polyrhiza PlantCyc CPD-7138
      superpathway of anthocyanin biosynthesis (from cyanidin and cyanidin 3-O-glucoside) PlantCyc CPD-7138
      Trifolium pratense PlantCyc CPD-7138
      Triticum aestivum PlantCyc CPD-7138
      Triticum urartu PlantCyc CPD-7138
      Vitis vinifera PlantCyc CPD-7138
      Zea mays subsp. mays PlantCyc CPD-7138

    • Bio Activity:

      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-7138
      1-O-sinapoyl-beta-D-glucose + cyanidin-3-O-beta-D-glucoside + cyanidin-3-O-beta-D-glucoside + 1-O-sinapoyl-beta-D-glucose -> cyanidin 3,5-di-O-beta-D-glucoside + sinapate PlantCyc CPD-7138
      4-coumaroyl-CoA + cyanidin 3,5-di-O-beta-D-glucoside -> shisonin + coenzyme A PlantCyc CPD-7138
      cyanidin 3,5-di-O-beta-D-glucoside + cyanidin 3,5-di-O-beta-D-glucoside + H2O + H2O -> cyanidin-3-O-beta-D-glucoside + D-glucopyranose + H+ PlantCyc CPD-7138
      cyanidin 3,5-di-O-beta-D-glucoside + H2O -> cyanidin-3-O-beta-D-glucoside + D-glucopyranose + H+ PlantCyc CPD-7138
      cyanidin 5-O-beta-D-glucoside + UDP-alpha-D-glucose -> cyanidin 3,5-di-O-beta-D-glucoside + UDP PlantCyc CPD-7138
      cyanidin-3-O-beta-D-glucoside + 1-O-feruloyl-beta-D-glucose -> cyanidin 3,5-di-O-beta-D-glucoside + ferulate PlantCyc CPD-7138
      cyanidin-3-O-beta-D-glucoside + 1-O-sinapoyl-beta-D-glucose -> cyanidin 3,5-di-O-beta-D-glucoside + sinapate PlantCyc CPD-7138
      cyanidin-3-O-beta-D-glucoside + 1-O-vanilloyl-beta-D-glucose -> cyanidin 3,5-di-O-beta-D-glucoside + vanillate PlantCyc CPD-7138
      cyanidin-3-O-beta-D-glucoside + cyanidin-3-O-beta-D-glucoside + 1-O-vanilloyl-beta-D-glucose -> cyanidin 3,5-di-O-beta-D-glucoside + vanillate PlantCyc CPD-7138
      cyanidin-3-O-beta-D-glucoside + UDP-alpha-D-glucose -> cyanidin 3,5-di-O-beta-D-glucoside + UDP PlantCyc CPD-7138

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 275 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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