1.0 2010-04-08 22:14:36 UTC 2019-11-26 03:17:53 UTC FDB019820 Foeniculoside II Constituent of the fruit of Foeniculum vulgare (fennel). Foeniculoside II is found in fennel and herbs and spices. Foeniculoside II C48H42O14 842.8387 842.257456052 2-{[3-(3,5-dihydroxyphenyl)-4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[3-(3,5-dihydroxyphenyl)-4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 168010-11-5 OCC1OC(OC2=CC(C3C(OC4=C3C(\C=C\C3=CC=C(O)C=C3)=CC(O)=C4)C3=CC=C(O)C=C3)=C3C(C(OC3=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C(O)C(O)C1O InChI=1S/C48H42O14/c49-22-38-43(56)44(57)45(58)48(62-38)59-34-20-35(41-37(21-34)61-46(24-5-11-29(51)12-6-24)40(41)27-16-31(53)18-32(54)17-27)42-39-26(4-1-23-2-9-28(50)10-3-23)15-33(55)19-36(39)60-47(42)25-7-13-30(52)14-8-25/h1-21,38,40,42-58H,22H2/b4-1+ LIMXEMROHIJDBW-DAFODLJHSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 1-phenylcoumarans Acetals Alkyl aryl ethers Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Resorcinols Secondary alcohols Stilbene glycosides Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-phenylcoumaran 2-arylbenzofuran flavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Coumaran Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Resorcinol Secondary alcohol Stilbene Stilbene glycoside Styrene logp 4.94 ALOGPS logs -4.93 ALOGPS solubility 9.88e-03 g/l ALOGPS logp 6.25 ChemAxon pka_strongest_acidic 8.7 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-{[3-(3,5-dihydroxyphenyl)-4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 842.8387 ChemAxon mono_mass 842.257456052 ChemAxon smiles OCC1OC(OC2=CC(C3C(OC4=C3C(\C=C\C3=CC=C(O)C=C3)=CC(O)=C4)C3=CC=C(O)C=C3)=C3C(C(OC3=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C(O)C(O)C1O ChemAxon formula C48H42O14 ChemAxon inchi InChI=1S/C48H42O14/c49-22-38-43(56)44(57)45(58)48(62-38)59-34-20-35(41-37(21-34)61-46(24-5-11-29(51)12-6-24)40(41)27-16-31(53)18-32(54)17-27)42-39-26(4-1-23-2-9-28(50)10-3-23)15-33(55)19-36(39)60-47(42)25-7-13-30(52)14-8-25/h1-21,38,40,42-58H,22H2/b4-1+ ChemAxon inchikey LIMXEMROHIJDBW-DAFODLJHSA-N ChemAxon polar_surface_area 239.22 ChemAxon refractivity 224.77 ChemAxon polarizability 85.58 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 294949 Specdb::MsMs 294950 Specdb::MsMs 294951 Specdb::MsMs 335833 Specdb::MsMs 335834 Specdb::MsMs 335835 Specdb::MsMs 2293416 Specdb::MsMs 2293417 Specdb::MsMs 2293418 Specdb::MsMs 2645727 Specdb::MsMs 2645728 Specdb::MsMs 2645729 HMDB40127 #<Reference:0x000055ce31788b10> Fennel Type 1 specific Foeniculum vulgare 48038 Herbs and Spices Unknown generic