1.0 2010-04-08 22:09:50 UTC 2019-11-26 03:05:26 UTC FDB011797 2'-Hydroxy-4',6'-dimethoxychalcone Found in kava (Piper methysticum), FDA advises against use of kava in food due to potential risk of severe liver damage (2002) 2'-Hydroxy-4',6'-dimethoxychalcone 4',6'-Dimethoxy-2'-hydroxychalcone CHALCONE,2-HYDROXY-4,6-DIMETHYL Flavokawain B Flavokawin B C17H16O4 284.3065 284.104859 (2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one flavokavain B 1775-97-9 COC1=CC(O)=C(C(=O)\C=C\C2=CC=CC=C2)C(OC)=C1 InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+ QKQLSQLKXBHUSO-CMDGGOBGSA-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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Benzoyl derivatives Cinnamylphenols Dimethoxybenzenes Enones Hydrocarbon derivatives Methoxyphenols Organic oxides Phenoxy compounds Styrenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-hydroxychalcone Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl Cinnamylphenol Dimethoxybenzene Enone Ether Hydrocarbon derivative Ketone M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene Vinylogous acid Chalcones and dihydrochalcones chalcones dimethoxybenzene phenols logp 3.90 ALOGPS logs -4.14 ALOGPS solubility 2.06e-02 g/l ALOGPS melting_point Mp 91° logp 3.92 ChemAxon pka_strongest_acidic 8.19 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one ChemAxon average_mass 284.3065 ChemAxon mono_mass 284.104859 ChemAxon smiles COC1=CC(O)=C(C(=O)\C=C\C2=CC=CC=C2)C(OC)=C1 ChemAxon formula C17H16O4 ChemAxon inchi InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+ ChemAxon inchikey QKQLSQLKXBHUSO-CMDGGOBGSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 81.78 ChemAxon polarizability 30.54 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17702 Specdb::CMs 43445 Specdb::CMs 135205 Specdb::CMs 142939 Specdb::MsMs 84504 Specdb::MsMs 84505 Specdb::MsMs 84506 Specdb::MsMs 146382 Specdb::MsMs 146383 Specdb::MsMs 146384 Specdb::MsMs 374647 Specdb::MsMs 451276 Specdb::MsMs 2391730 Specdb::MsMs 2391731 Specdb::MsMs 2391732 Specdb::MsMs 2570822 Specdb::MsMs 2570823 Specdb::MsMs 2570824 HMDB33691 #<Reference:0x000055ce323332a8> Beverages Unknown generic