1.0 2010-04-08 22:13:57 UTC 2019-11-26 03:16:45 UTC FDB018823 [12]-Gingerdione From Zingiber officinale (ginger). [12]-Gingerdione is found in herbs and spices. 1-(4-Hydroxy-3-methoxyphenyl)-3,5-hexadecanedione, 9CI C23H36O4 376.5295 376.26135964 1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,5-dione 1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,5-dione 91815-31-5 CCCCCCCCCCCC(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1 InChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,26H,3-13,15,18H2,1-2H3 SRGFWRMSKPVJOD-UHFFFAOYSA-N belongs to the class of organic compounds known as gingerdiones. Gingerdiones are compounds containing a gingerdione moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by an alkane-2,4-dione. Gingerdiones Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Beta-diketones Hydrocarbon derivatives Ketones Methoxybenzenes Organic oxides Phenoxy compounds 1,3-dicarbonyl compound 1,3-diketone 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Carbonyl group Ether Gingerdione Hydrocarbon derivative Ketone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 6.25 ALOGPS logs -5.64 ALOGPS solubility 8.71e-04 g/l ALOGPS melting_point Mp 44-45° logp 6.85 ChemAxon pka_strongest_acidic 8.66 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,5-dione ChemAxon average_mass 376.5295 ChemAxon mono_mass 376.26135964 ChemAxon smiles CCCCCCCCCCCC(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1 ChemAxon formula C23H36O4 ChemAxon inchi InChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,26H,3-13,15,18H2,1-2H3 ChemAxon inchikey SRGFWRMSKPVJOD-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 109.89 ChemAxon polarizability 45.85 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21675 Specdb::CMs 46341 Specdb::CMs 164410 Specdb::MsMs 65031 Specdb::MsMs 65032 Specdb::MsMs 65033 Specdb::MsMs 122346 Specdb::MsMs 122347 Specdb::MsMs 122348 Specdb::MsMs 2674750 Specdb::MsMs 2674751 Specdb::MsMs 2674752 Specdb::MsMs 3034817 Specdb::MsMs 3034818 Specdb::MsMs 3034819 HMDB39278 #<Reference:0x000055ce32b70f88> Herbs and Spices Unknown generic