1.02010-04-08 22:12:24 UTC2019-11-26 03:13:08 UTCFDB016371IsorhoifolinIsolated from leaves of Citrus paradisi (grapefruit) and other plant subspecies Isorhoifolin is found in many foods, some of which are sweet orange, citrus, dill, and lemon.Apigenin 7-O-beta-rutinosideApigenin 7-O-rutinosideIsorhoifolinC27H30O14578.5187578.1635556685-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one552-57-8CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1OInChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3FKIYLTVJPDLUDL-UHFFFAOYSA-N belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone.5-O-methylated flavonoidsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsO-methylated flavonoidsAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-O-methylated flavonoids3-methoxychromones4'-hydroxyflavonoids7-hydroxyflavonoidsAlkyl aryl ethersAnisolesBenzene and substituted derivativesCatecholsFlavonesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsPyranones and derivativesVinylogous esters1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid3-methoxychromone3-methoxyflavonoid-skeleton4'-hydroxyflavonoid5-methoxyflavonoid-skeleton7-hydroxyflavonoidAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranCatecholChromoneEtherFlavoneHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPyranPyranoneVinylogous esterFlavones and Flavonolslogp-0.00logs-2.48solubility1.91e+00 g/lmelting_pointMp 269-270°logp-0.29pka_strongest_acidic8.31pka_strongest_basic-3.6iupac5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneaverage_mass578.5187mono_mass578.163555668smilesCC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1OformulaC27H30O14inchiInChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3inchikeyFKIYLTVJPDLUDL-UHFFFAOYSA-Npolar_surface_area225.06refractivity135.93polarizability56.71rotatable_bond_count6acceptor_count14donor_count8physiological_charge0formal_charge0Specdb::CMs21680Specdb::CMs45335Specdb::MsMs71112Specdb::MsMs71113Specdb::MsMs71114Specdb::MsMs129732Specdb::MsMs129733Specdb::MsMs129734Specdb::MsMs440245Specdb::MsMs440246Specdb::MsMs440247Specdb::MsMs440248Specdb::MsMs440249HMDB37349#<Reference:0x000055567614d7d8>CitrusUnknowngenericDillType 1specificAnethum graveolens40922German camomileType 1specificMatricaria recutita127986LemonType 1specificCitrus limon2708OliveType 1specificOlea europaea41461.1021.1020000161.102000016mg/100 gOrange mintType 1specificMentha aquatica190902PeppermintType 1specificMentha X piperita34256125.045926125.045925935125.045925935mg/100 gSweet orangeType 1specificCitrus sinensis2711anti complementary201