1.02010-04-08 22:05:28 UTC2019-11-26 02:57:48 UTCFDB002679Hesperetin 7-neohesperidosideConstituent of Seville orange peel (Citrus aurantium) and other Citrus subspecies Very bitter flavouring agent. Hesperetin 7-neohesperidoside is found in many foods, some of which are grapefruit/pummelo hybrid, pummelo, citrus, and grapefruit.Hesperetin 7-neohesperidosideHesperetin 7-O-neohesperidosideNeohesperidinC28H34O15610.5606610.1897704187-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one13241-33-3COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3ARGKVCXINMKCAZ-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclobutane lignans. These are lignans with a structure characterized by to phenylpropanoid units coupled together through the C7-C7' and C8-C8' bonds, forming a cyclobutane ring with the C7, C7', C8', and C8 atoms.Cyclobutane lignansOrganic compoundsLignans, neolignans and related compoundsCyclobutane lignansAromatic homomonocyclic compoundsAlkyl aryl ethersAnisolesDibenzylbutane lignansHydrocarbon derivativesMethoxybenzenesPhenoxy compoundsStilbenesAlkyl aryl etherAnisoleAromatic homomonocyclic compoundBenzenoidCyclobutane lignan skeletonDibenzylbutane lignan skeletonEtherHydrocarbon derivativeMethoxybenzeneMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundPhenol etherPhenoxy compoundStilbenelogp-0.27logs-2.26solubility3.37e+00 g/lmelting_pointMp 244°logp-0.31pka_strongest_acidic8.61pka_strongest_basic-3.6iupac7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneaverage_mass610.5606mono_mass610.189770418smilesCOC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1formulaC28H34O15inchiInChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3inchikeyARGKVCXINMKCAZ-UHFFFAOYSA-Npolar_surface_area234.29refractivity140.77polarizability60.79rotatable_bond_count7acceptor_count15donor_count8physiological_charge0formal_charge0Specdb::CMs25076Specdb::CMs31945Specdb::CMs42131Specdb::CMs100562Specdb::NmrOneD162129Specdb::NmrOneD162130Specdb::NmrOneD162131Specdb::NmrOneD162132Specdb::NmrOneD162133Specdb::NmrOneD162134Specdb::NmrOneD162135Specdb::NmrOneD162136Specdb::NmrOneD162137Specdb::NmrOneD162138Specdb::NmrOneD162139Specdb::NmrOneD162140Specdb::NmrOneD162141Specdb::NmrOneD162142Specdb::NmrOneD162143Specdb::NmrOneD162144Specdb::NmrOneD162145Specdb::NmrOneD162146Specdb::NmrOneD162147Specdb::NmrOneD162148Specdb::MsMs7937Specdb::MsMs7938Specdb::MsMs7939Specdb::MsMs14609Specdb::MsMs14610Specdb::MsMs14611Specdb::MsMs440358Specdb::MsMs440359Specdb::MsMs440360Specdb::MsMs440361Specdb::MsMs2226879Specdb::MsMs2227810Specdb::MsMs2235896Specdb::MsMs2237503Specdb::MsMs2239978Specdb::MsMs2241753Specdb::MsMs2242063Specdb::MsMs2244166Specdb::MsMs2245937Specdb::MsMs2246253Specdb::MsMs2248022Specdb::MsMs2248376Specdb::MsMs2250014Specdb::MsMs2250408Specdb::MsMs2251963HMDB3074859016#<Reference:0x0000555674d62ea8>CitrusUnknowngenericGrapefruitType 1specificCitrus X paradisi376560.7935610.9033333320.683787862mg/100 gGrapefruit/Pummelo hybridType 1specificCitrus paradisi X Citrus maxima376560.6166670.616666670.61666667mg/100 gLemonType 1specificCitrus limon27080.0805560.0805555580.080555558mg/100 gLimeType 1specificCitrus aurantiifolia1590330.00.00.0mg/100 gMandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata85571PummeloType 1specificCitrus maxima373340.00.00.0mg/100 gSweet orangeType 1specificCitrus sinensis27110.0213980.0641935490.0mg/100 ganti cancer159A substance that inhibits or prevents the proliferation of neoplasms.anti radicular572antioxidant502A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.antitumor promoter673A substance that inhibits or prevents the proliferation of neoplasms.cancer preventive754A substance that inhibits or prevents the proliferation of neoplasms.