1.02010-04-08 22:12:34 UTC2019-11-26 03:13:36 UTCFDB016668Kaempferol 3-sophorosidePanasenoside, also known as lilyn, is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Panasenoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Panasenoside can be found in tea, which makes panasenoside a potential biomarker for the consumption of this food product. Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosideKaempferol 3-O-beta-D-sophorosideKaempferol 3-O-beta-sophorosideKaempferol 3-O-sophorosideKaempferol 3-sophorosideKaempferol-3-O-sophorosideKaempferol-3-sophorosideSophoraflavonolosideC27H30O16610.5175610.1533849123-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-onekaempferol 3-o-sophoroside19895-95-5OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1OInChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2LKZDFKLGDGSGEO-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.Flavonoid-3-O-glycosidesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonoid glycosidesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAcetalsBenzene and substituted derivativesChromonesDisaccharidesFlavonesHeteroaromatic compoundsHydrocarbon derivativesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPolyolsPrimary alcoholsPyranones and derivativesSecondary alcoholsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid4'-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoidAcetalAlcoholAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneDisaccharideFlavoneFlavonoid-3-o-glycosideGlycosyl compoundHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPolyolPrimary alcoholPyranPyranoneSecondary alcoholVinylogous aciddisaccharide derivativeflavonolskaempferol O-glucosidetrihydroxyflavonelogp-0.55logs-2.00solubility6.07e+00 g/lmelting_pointMp 207-208° (195-198°)logp-1.6pka_strongest_acidic6.37pka_strongest_basic-3.6iupac3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneaverage_mass610.5175mono_mass610.153384912smilesOCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1OformulaC27H30O16inchiInChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2inchikeyLKZDFKLGDGSGEO-UHFFFAOYSA-Npolar_surface_area265.52refractivity139.71polarizability57.21rotatable_bond_count7acceptor_count16donor_count10physiological_charge-1formal_charge0Specdb::MsMs241264Specdb::MsMs241265Specdb::MsMs241266Specdb::MsMs243319Specdb::MsMs243320Specdb::MsMs243321Specdb::MsMs3610006Specdb::MsMs3610007Specdb::MsMs3610008Specdb::MsMs3611107Specdb::MsMs3611108Specdb::MsMs3611109BroccoliType 1specificBrassica oleracea var. italica367748.316.6000003810.0mg/100 gCabbageType 1specificBrassica oleracea var. capitata3716LoquatType 1specificEriobotrya japonica32224PotatoType 1specificSolanum tuberosum4113SaffronType 1specificCrocus sativus82528150.752858150.75285848150.75285848mg/100 gSoy beanType 1specificGlycine max3847Tree fernType 1specificCyatheaWhite cabbageType 1specificBrassica oleracea L. var. capitata L. f. alba DC.analgesic56An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.