1.0 2010-04-08 22:13:56 UTC 2019-11-26 03:16:40 UTC FDB018786 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol From seed kernels of Myristica fragrans (nutmeg). 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is found in herbs and spices. 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol a-[1-[2,6-Dimethoxy-4-(2-propenyl)phenoxy]ethyl]-4-hydroxy-3-methoxybenzenemethanol, 9CI C21H26O6 374.4275 374.172938564 4-{2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]-1-hydroxypropyl}-2-methoxyphenol 4-{2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]-1-hydroxypropyl}-2-methoxyphenol 52190-21-3 COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(O)C=C1 InChI=1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3 ULZFTGWWPHYLGI-UHFFFAOYSA-N belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. Lignans, neolignans and related compounds Organic compounds Lignans, neolignans and related compounds Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aromatic alcohols Dimethoxybenzenes Hydrocarbon derivatives Methoxyphenols Phenoxy compounds Phenylpropanes Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Dimethoxybenzene Ether Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Neolignan skeleton Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Phenylpropane Secondary alcohol logp 3.34 ALOGPS logs -4.30 ALOGPS solubility 1.89e-02 g/l ALOGPS melting_point Mp 96.5-97.5° logp 3.65 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 4-{2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]-1-hydroxypropyl}-2-methoxyphenol ChemAxon average_mass 374.4275 ChemAxon mono_mass 374.172938564 ChemAxon smiles COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C1=CC(OC)=C(O)C=C1 ChemAxon formula C21H26O6 ChemAxon inchi InChI=1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3 ChemAxon inchikey ULZFTGWWPHYLGI-UHFFFAOYSA-N ChemAxon polar_surface_area 77.38 ChemAxon refractivity 103.17 ChemAxon polarizability 39.99 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17965 Specdb::CMs 46334 Specdb::CMs 135510 Specdb::CMs 143244 Specdb::MsMs 44742 Specdb::MsMs 44743 Specdb::MsMs 44744 Specdb::MsMs 166629 Specdb::MsMs 166630 Specdb::MsMs 166631 Specdb::MsMs 2666755 Specdb::MsMs 2666756 Specdb::MsMs 2666757 Specdb::MsMs 3011681 Specdb::MsMs 3011682 Specdb::MsMs 3011683 HMDB39248 #<Reference:0x000055ce31cd8fc0> Herbs and Spices Unknown generic