1.0 2010-04-08 22:12:34 UTC 2025-11-19 01:49:01 UTC FDB016665 Kaempferol 3-neohesperidoside Isolated from hop (Humulus lupulus). Kaempferol 3-neohesperidoside is found in soy bean, alcoholic beverages, and cereals and cereal products. Kaempferol 3-neohesperidoside C27H30O15 594.5181 594.15847029 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 32602-81-6 CC1OC(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)C1O InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3 OHOBPOYHROOXEI-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-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.05 ALOGPS logs -2.20 ALOGPS solubility 3.72e+00 g/l ALOGPS melting_point Mp 197-200° logp -0.57 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 594.5181 ChemAxon mono_mass 594.15847029 ChemAxon smiles CC1OC(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)C1O ChemAxon formula C27H30O15 ChemAxon inchi InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3 ChemAxon inchikey OHOBPOYHROOXEI-UHFFFAOYSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 138.16 ChemAxon polarizability 56.85 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11270 Specdb::MsMs 11271 Specdb::MsMs 11272 Specdb::MsMs 13019 Specdb::MsMs 13020 Specdb::MsMs 13021 Specdb::MsMs 17942 Specdb::MsMs 17943 Specdb::MsMs 17944 Specdb::MsMs 19691 Specdb::MsMs 19692 Specdb::MsMs 19693 Specdb::MsMs 2428219 Specdb::MsMs 2428220 Specdb::MsMs 2428221 Specdb::MsMs 2511370 Specdb::MsMs 2511371 Specdb::MsMs 2511372 Specdb::NmrOneD 22122 Specdb::NmrOneD 22123 Specdb::NmrOneD 22124 Specdb::NmrOneD 22125 Specdb::NmrOneD 22126 Specdb::NmrOneD 22127 Specdb::NmrOneD 22128 Specdb::NmrOneD 22129 Specdb::NmrOneD 22130 Specdb::NmrOneD 22131 Specdb::NmrOneD 22132 Specdb::NmrOneD 22133 Specdb::NmrOneD 22134 Specdb::NmrOneD 22135 Specdb::NmrOneD 22136 Specdb::NmrOneD 22137 Specdb::NmrOneD 22138 Specdb::NmrOneD 22139 Specdb::NmrOneD 22140 Specdb::NmrOneD 22141 Specdb::CMs 14435 Specdb::CMs 45470 Specdb::CMs 282976 Specdb::CMs 434779 Specdb::CMs 434780 Specdb::CMs 434781 Specdb::CMs 434782 Specdb::CMs 434783 Specdb::CMs 434784 Specdb::CMs 434785 Specdb::CMs 434786 Specdb::CMs 434787 Specdb::CMs 434788 Specdb::CMs 434789 Specdb::CMs 434790 Specdb::CMs 434791 Specdb::CMs 434792 Specdb::CMs 434793 Specdb::CMs 434794 Specdb::CMs 434795 Specdb::CMs 434796 Specdb::CMs 434797 Specdb::CMs 434798 Specdb::CMs 434799 Specdb::CMs 434800 HMDB37573 #<Reference:0x000055ce3251aad0> Alcoholic beverages Unknown generic Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Soy bean Type 1 specific Glycine max 3847