1.0 2010-04-08 22:13:34 UTC 2025-11-19 02:10:07 UTC FDB018198 4'-Methylisoscutellarein 8-(2''-sulfoglucoside) Isolated from the roots of Althaea officinalis (marsh mallow). 4'-Methylisoscutellarein 8-(2''-sulfoglucoside) is found in tea, herbs and spices, and root vegetables. 4'-Methylisoscutellarein 8-(2''-sulfoglucoside) 4'-Methylisoscutellarein 8-O-(2-O-sulfo-b-D-glucopyranoside) 5,7,8-Trihydroxy-4'-methoxyflavone 8-O-(2-O-sulfo-b-D-glucopyranoside) Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside) C22H22O14S 542.467 542.073026102 (2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid (2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid 136516-95-5 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(CO)C(O)C(O)C1OS(O)(=O)=O)=C(O)C=C2O InChI=1S/C22H22O14S/c1-32-10-4-2-9(3-5-10)14-7-12(25)16-11(24)6-13(26)19(20(16)33-14)35-22-21(36-37(29,30)31)18(28)17(27)15(8-23)34-22/h2-7,15,17-18,21-24,26-28H,8H2,1H3,(H,29,30,31) ICXGFKZMXFCHLZ-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Long-chain fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic acyclic compound Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organooxygen compound Secondary alcohol long-chain fatty alcohol logp 0.28 ALOGPS logs -2.04 ALOGPS solubility 4.98e+00 g/l ALOGPS melting_point Mp 180 dec. (K salt) logp -1.7 ChemAxon pka_strongest_acidic -2.3 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid ChemAxon average_mass 542.467 ChemAxon mono_mass 542.073026102 ChemAxon smiles COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(CO)C(O)C(O)C1OS(O)(=O)=O)=C(O)C=C2O ChemAxon formula C22H22O14S ChemAxon inchi InChI=1S/C22H22O14S/c1-32-10-4-2-9(3-5-10)14-7-12(25)16-11(24)6-13(26)19(20(16)33-14)35-22-21(36-37(29,30)31)18(28)17(27)15(8-23)34-22/h2-7,15,17-18,21-24,26-28H,8H2,1H3,(H,29,30,31) ChemAxon inchikey ICXGFKZMXFCHLZ-UHFFFAOYSA-N ChemAxon polar_surface_area 218.74 ChemAxon refractivity 121.51 ChemAxon polarizability 49.37 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 29322 Specdb::NmrOneD 29323 Specdb::NmrOneD 29324 Specdb::NmrOneD 29325 Specdb::NmrOneD 29326 Specdb::NmrOneD 29327 Specdb::NmrOneD 29328 Specdb::NmrOneD 29329 Specdb::NmrOneD 29330 Specdb::NmrOneD 29331 Specdb::NmrOneD 29332 Specdb::NmrOneD 29333 Specdb::NmrOneD 29334 Specdb::NmrOneD 29335 Specdb::NmrOneD 29336 Specdb::NmrOneD 29337 Specdb::NmrOneD 29338 Specdb::NmrOneD 29339 Specdb::NmrOneD 29340 Specdb::NmrOneD 29341 Specdb::CMs 11196 Specdb::CMs 46049 Specdb::CMs 269507 Specdb::CMs 269508 Specdb::CMs 269509 Specdb::CMs 269510 Specdb::CMs 269511 Specdb::CMs 269512 Specdb::CMs 269513 Specdb::CMs 269514 Specdb::CMs 269515 Specdb::CMs 269516 Specdb::CMs 269517 Specdb::CMs 269518 Specdb::CMs 269519 Specdb::CMs 269520 Specdb::CMs 269521 Specdb::CMs 269522 Specdb::CMs 269523 Specdb::CMs 269524 Specdb::CMs 269525 Specdb::CMs 269526 Specdb::CMs 269527 Specdb::CMs 269528 Specdb::CMs 269529 Specdb::MsMs 77829 Specdb::MsMs 77830 Specdb::MsMs 77831 Specdb::MsMs 138051 Specdb::MsMs 138052 Specdb::MsMs 138053 Specdb::MsMs 2378829 Specdb::MsMs 2378830 Specdb::MsMs 2378831 Specdb::MsMs 2556126 Specdb::MsMs 2556127 Specdb::MsMs 2556128 HMDB38779 #<Reference:0x000055ce31a32690> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Root vegetables Unknown generic Tea Type 1 specific Camellia sinensis 4442