1.0 2010-04-08 22:12:25 UTC 2019-11-26 03:13:12 UTC FDB016413 1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one Isolated from Myrica gale (bog myrtle). 1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one is found in herbs and spices. 1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one, 9CI 2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone C18H18O4 298.3331 298.120509064 (2E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one (2E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one 65349-31-7 COC1=C(C)C(O)=C(C)C(O)=C1C(=O)\C=C\C1=CC=CC=C1 InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+ TZEQDSMFACWASC-MDZDMXLPSA-N belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position. 2'-Hydroxychalcones Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Aromatic homomonocyclic compounds Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Benzoyl derivatives Cinnamylphenols Enones Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Ortho cresols Para cresols Phenoxy compounds Resorcinols Styrenes Vinylogous acids Xylenols m-Xylenes 2'-hydroxychalcone Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl Cinnamylphenol Enone 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 Resorcinol Styrene Vinylogous acid Xylene Xylenol Chalcones and dihydrochalcones chalcones monomethoxybenzene resorcinols logp 3.82 ALOGPS logs -3.87 ALOGPS solubility 4.00e-02 g/l ALOGPS melting_point Mp 125-126° logp 4.8 ChemAxon pka_strongest_acidic 8.63 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (2E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one ChemAxon average_mass 298.3331 ChemAxon mono_mass 298.120509064 ChemAxon smiles COC1=C(C)C(O)=C(C)C(O)=C1C(=O)\C=C\C1=CC=CC=C1 ChemAxon formula C18H18O4 ChemAxon inchi InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+ ChemAxon inchikey TZEQDSMFACWASC-MDZDMXLPSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 87.38 ChemAxon polarizability 32.43 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26114 Specdb::CMs 45351 Specdb::CMs 135061 Specdb::CMs 142795 Specdb::MsMs 81282 Specdb::MsMs 81283 Specdb::MsMs 81284 Specdb::MsMs 142359 Specdb::MsMs 142360 Specdb::MsMs 142361 Specdb::MsMs 2411383 Specdb::MsMs 2411384 Specdb::MsMs 2411385 Specdb::MsMs 2550399 Specdb::MsMs 2550400 Specdb::MsMs 2550401 HMDB37376 #<Reference:0x000055ce33585a78> Herbs and Spices Unknown generic