1.0 2010-04-08 22:08:39 UTC 2018-05-28 23:24:34 UTC FDB009586 (-)-Homoeriodictyol, sodium salt It is used as a food additive . C16H13NaO6 324.264 324.06098242 sodium (2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-olate sodium (2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-olate 462631-45-4 [Na+].[H]C1(CC(=O)C2=C(O)C=C([O-])C=C2O1)C1=CC(OC)=C(O)C=C1 InChI=1S/C16H14O6.Na/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13;/h2-6,13,17-19H,7H2,1H3;/q;+1/p-1 VTSVJNMTTDGHQA-UHFFFAOYSA-M belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone. 3'-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Flavanones Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Organic sodium salts Organic zwitterions Oxacyclic compounds Phenoxides Phenoxy compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic alkali metal salt Organic oxide Organic oxygen compound Organic salt Organic sodium salt Organic zwitterion Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxide Phenoxy compound Vinylogous acid logp 2.67 ALOGPS logs -2.98 ALOGPS solubility 3.42e-01 g/l ALOGPS logp 2.68 ChemAxon pka_strongest_acidic 7.86 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac sodium (2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-olate ChemAxon average_mass 324.264 ChemAxon mono_mass 324.06098242 ChemAxon smiles [Na+].[H]C1(CC(=O)C2=C(O)C=C([O-])C=C2O1)C1=CC(OC)=C(O)C=C1 ChemAxon formula C16H13NaO6 ChemAxon inchi InChI=1S/C16H14O6.Na/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13;/h2-6,13,17-19H,7H2,1H3;/q;+1/p-1 ChemAxon inchikey VTSVJNMTTDGHQA-UHFFFAOYSA-M ChemAxon polar_surface_area 99.05 ChemAxon refractivity 88.3 ChemAxon polarizability 29.76 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1293277 Specdb::MsMs 1293278 Specdb::MsMs 1293279 Specdb::MsMs 1407958 Specdb::MsMs 1407959 Specdb::MsMs 1407960 Specdb::MsMs 3604966 Specdb::MsMs 3604967 Specdb::MsMs 3604968