1.0 2010-04-08 22:05:31 UTC 2025-11-18 22:40:30 UTC FDB002767 Acacetin 7-rutinoside Acacetin 7-rutinoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Acacetin 7-rutinoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Acacetin 7-rutinoside can be found in linden, orange mint, and spearmint, which makes acacetin 7-rutinoside a potential biomarker for the consumption of these food products. Acacetin 7-O-rutinoside Acacetin 7-rutinoside Acaciin Buddleoflavonoloside Linaric acid Linarin? C28H32O14 592.5453 592.179205732 5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one 5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one 480-36-4 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1 InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3 YFVGIJBUXMQFOF-UHFFFAOYSA-N belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups. Dialkyl ethers Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Dialkyl ether Hydrocarbon derivative logp 0.23 ALOGPS logs -2.66 ALOGPS solubility 1.30e+00 g/l ALOGPS melting_point Mp 272-276° logp -0.14 ChemAxon pka_strongest_acidic 8.51 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 592.5453 ChemAxon mono_mass 592.179205732 ChemAxon smiles COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1 ChemAxon formula C28H32O14 ChemAxon inchi InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3 ChemAxon inchikey YFVGIJBUXMQFOF-UHFFFAOYSA-N ChemAxon polar_surface_area 214.06 ChemAxon refractivity 140.41 ChemAxon polarizability 58.45 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 231878 Specdb::NmrOneD 231879 Specdb::NmrOneD 231880 Specdb::NmrOneD 231881 Specdb::NmrOneD 231882 Specdb::NmrOneD 231883 Specdb::NmrOneD 231884 Specdb::NmrOneD 231885 Specdb::NmrOneD 231886 Specdb::NmrOneD 231887 Specdb::NmrOneD 231888 Specdb::NmrOneD 231889 Specdb::NmrOneD 231890 Specdb::NmrOneD 231891 Specdb::NmrOneD 231892 Specdb::NmrOneD 231893 Specdb::NmrOneD 231894 Specdb::NmrOneD 231895 Specdb::NmrOneD 231896 Specdb::NmrOneD 231897 Specdb::MsMs 51219 Specdb::MsMs 51220 Specdb::MsMs 51221 Specdb::MsMs 143490 Specdb::MsMs 143491 Specdb::MsMs 143492 Specdb::MsMs 2226731 Specdb::MsMs 2237981 Specdb::MsMs 2239579 Specdb::MsMs 2240004 Specdb::MsMs 2241723 Specdb::MsMs 2242020 Specdb::MsMs 2243829 Specdb::MsMs 2252628 Specdb::MsMs 2253875 Specdb::MsMs 2255864 Specdb::MsMs 2256767 Specdb::MsMs 2258720 Specdb::MsMs 2259840 Specdb::MsMs 3442255 Specdb::MsMs 3442256 Specdb::MsMs 3442257 Specdb::MsMs 3442258 Specdb::MsMs 3442259 Specdb::MsMs 3442260 Specdb::CMs 928716 Specdb::CMs 928717 Specdb::CMs 928718 Specdb::CMs 928719 Specdb::CMs 928720 Specdb::CMs 928721 Specdb::CMs 928722 Specdb::CMs 928723 Specdb::CMs 928724 Specdb::CMs 928725 Specdb::CMs 928726 Specdb::CMs 928727 Specdb::CMs 928728 Specdb::CMs 928729 Specdb::CMs 928730 Specdb::CMs 928731 Specdb::CMs 928732 Specdb::CMs 928733 Specdb::CMs 928734 Specdb::CMs 928735 Specdb::CMs 928736 Specdb::CMs 928737 Specdb::CMs 928738 Specdb::CMs 928739 Specdb::CMs 928740 Linden Type 1 specific Tilia 64580 Orange mint Type 1 specific Mentha aquatica 190902 Spearmint Type 1 specific Mentha spicata 29719 Aldose reductase inhibitor 40 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).