1.0 2010-04-08 22:12:20 UTC 2019-11-26 03:12:57 UTC FDB016257 Myrigalon B Isolated from Myrica gale (bog myrtle). Myrigalon B is found in herbs and spices. 1-(2,6-Dihydroxy-4-methoxy-3,5-dimethylphenyl)-3-phenyl-1-propanone 2',6'-Dihydroxy-4'-methoxy-3',5'-dimethyldihydrochalcone Myrigalon B C18H20O4 300.349 300.136159128 1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one myrigalon B 34328-55-7 COC1=C(C)C(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1C InChI=1S/C18H20O4/c1-11-16(20)15(17(21)12(2)18(11)22-3)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3 SGSWJLOWQDDBPP-UHFFFAOYSA-N belongs to the class of organic compounds known as 2'-hydroxy-dihydrochalcones. These are organic compounds containing dihydrochalcone skeleton that carries a hydroxyl group at the 2'-position. 2'-Hydroxy-dihydrochalcones Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Aromatic homomonocyclic compounds Alkyl aryl ethers Alkyl-phenylketones Anisoles Aryl alkyl ketones Benzoyl derivatives Butyrophenones Cinnamylphenols Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Ortho cresols Para cresols Phenoxy compounds Resorcinols Vinylogous acids Xylenols m-Xylenes 2'-hydroxy-dihydrochalcone Alkyl aryl ether Alkyl-phenylketone Anisole Aromatic homomonocyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzoyl Butyrophenone Cinnamylphenol Ether Hydrocarbon derivative Ketone M-xylene Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-cresol Organic oxide Organic oxygen compound Organooxygen compound P-cresol Phenol Phenol ether Phenoxy compound Phenylketone Resorcinol Vinylogous acid Xylene Xylenol Chalcones and dihydrochalcones logp 3.30 ALOGPS logs -3.81 ALOGPS solubility 4.65e-02 g/l ALOGPS melting_point Mp 121° (116-117°) logp 5.37 ChemAxon pka_strongest_acidic 10.74 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one ChemAxon average_mass 300.349 ChemAxon mono_mass 300.136159128 ChemAxon smiles COC1=C(C)C(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1C ChemAxon formula C18H20O4 ChemAxon inchi InChI=1S/C18H20O4/c1-11-16(20)15(17(21)12(2)18(11)22-3)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3 ChemAxon inchikey SGSWJLOWQDDBPP-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 86.29 ChemAxon polarizability 32.72 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15144 Specdb::CMs 45280 Specdb::CMs 131244 Specdb::CMs 138978 Specdb::MsMs 73311 Specdb::MsMs 73312 Specdb::MsMs 73313 Specdb::MsMs 132465 Specdb::MsMs 132466 Specdb::MsMs 132467 Specdb::MsMs 2262229 Specdb::MsMs 2262230 Specdb::MsMs 2262231 Specdb::MsMs 3079923 Specdb::MsMs 3079924 Specdb::MsMs 3079925 HMDB37246 #<Reference:0x000055ce32656c50> Herbs and Spices Unknown generic