1.0 2010-04-08 22:09:25 UTC 2019-11-26 03:04:27 UTC FDB011008 7,8-Dihydroyangonin Constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). 7,8-Dihydroyangonin is found in beverages. 7,8-Dihydroyangonin C15H16O4 260.2851 260.104859 4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one 4-methoxy-6-[2-(4-methoxyphenyl)ethyl]pyran-2-one 3155-52-0 COC1=CC=C(CCC2=CC(OC)=CC(=O)O2)C=C1 InChI=1S/C15H16O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-4,6-7,9-10H,5,8H2,1-2H3 CZCOHVXNUPVUBC-UHFFFAOYSA-N belongs to the class of organic compounds known as kavalactones. These are lactones, which is structurally characterized by a benzene ring and a pyranone moiety, linked to each other to form a 4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one skeleton. Kavalactones Organic compounds Phenylpropanoids and polyketides Kavalactones Aromatic heteromonocyclic compounds Alkyl aryl ethers Anisoles Heteroaromatic compounds Hydrocarbon derivatives Lactones Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous esters Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Ether Heteroaromatic compound Hydrocarbon derivative Kavalactone Lactone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Pyran Pyranone Vinylogous ester logp 3.28 ALOGPS logs -4.03 ALOGPS solubility 2.45e-02 g/l ALOGPS logp 2.61 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one ChemAxon average_mass 260.2851 ChemAxon mono_mass 260.104859 ChemAxon smiles COC1=CC=C(CCC2=CC(OC)=CC(=O)O2)C=C1 ChemAxon formula C15H16O4 ChemAxon inchi InChI=1S/C15H16O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-4,6-7,9-10H,5,8H2,1-2H3 ChemAxon inchikey CZCOHVXNUPVUBC-UHFFFAOYSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 74.24 ChemAxon polarizability 27.86 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13723 Specdb::CMs 167544 Specdb::MsMs 101100 Specdb::MsMs 101101 Specdb::MsMs 101102 Specdb::MsMs 166623 Specdb::MsMs 166624 Specdb::MsMs 166625 Specdb::MsMs 451262 Specdb::MsMs 452106 Specdb::MsMs 452107 Specdb::MsMs 2740663 Specdb::MsMs 2740664 Specdb::MsMs 2740665 Specdb::MsMs 2937988 Specdb::MsMs 2937989 Specdb::MsMs 2937990 HMDB33016 #<Reference:0x000055ce31622320> Beverages Unknown generic