1.0 2010-04-08 22:13:45 UTC 2019-11-26 03:16:14 UTC FDB018490 6-Gingesulfonic acid Isolated from the rhizome of Zingiber officinale (ginger). 6-Gingesulfonic acid is found in herbs and spices and ginger. C17H26O6S 358.45 358.145009254 1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid 1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid 145937-21-9 CCCCCC(CC(=O)CCC1=CC(OC)=C(O)C=C1)S(O)(=O)=O InChI=1S/C17H26O6S/c1-3-4-5-6-15(24(20,21)22)12-14(18)9-7-13-8-10-16(19)17(11-13)23-2/h8,10-11,15,19H,3-7,9,12H2,1-2H3,(H,20,21,22) UGTSZVWDFDIWIG-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkanesulfonic acids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Ketones Methoxybenzenes Organic oxides Organosulfonic acids Phenoxy compounds Sulfonyls 1-hydroxy-2-unsubstituted benzenoid Alkanesulfonic acid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Carbonyl group Ether Hydrocarbon derivative Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organooxygen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Phenol ether Phenoxy compound Sulfonyl logp 1.29 ALOGPS logs -3.48 ALOGPS solubility 1.19e-01 g/l ALOGPS logp 3.48 ChemAxon pka_strongest_acidic -0.87 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid ChemAxon average_mass 358.45 ChemAxon mono_mass 358.145009254 ChemAxon smiles CCCCCC(CC(=O)CCC1=CC(OC)=C(O)C=C1)S(O)(=O)=O ChemAxon formula C17H26O6S ChemAxon inchi InChI=1S/C17H26O6S/c1-3-4-5-6-15(24(20,21)22)12-14(18)9-7-13-8-10-16(19)17(11-13)23-2/h8,10-11,15,19H,3-7,9,12H2,1-2H3,(H,20,21,22) ChemAxon inchikey UGTSZVWDFDIWIG-UHFFFAOYSA-N ChemAxon polar_surface_area 100.9 ChemAxon refractivity 91.63 ChemAxon polarizability 37.82 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 13118 Specdb::MsMs 13119 Specdb::MsMs 13120 Specdb::MsMs 19790 Specdb::MsMs 19791 Specdb::MsMs 19792 Specdb::MsMs 2311076 Specdb::MsMs 2311077 Specdb::MsMs 2311078 Specdb::MsMs 2651552 Specdb::MsMs 2651553 Specdb::MsMs 2651554 Specdb::CMs 21517 Specdb::CMs 46198 Specdb::CMs 167792 HMDB38999 #<Reference:0x000055ce31859030> Ginger Type 1 specific Zingiber officinale 94328 Herbs and Spices Unknown generic Anti ulcer 676 One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.