1.0 2010-04-08 22:10:32 UTC 2019-11-26 03:07:59 UTC FDB013106 Shoyuflavone C Isolated from fermented soy sauce. Production by Aspergillus oryzae. Shoyuflavone C is found in herbs and spices. Shoyuflavone C C19H14O11 418.3079 418.05361129 2-{[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-hydroxybutanedioic acid 2-{[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3-hydroxybutanedioic acid 194664-54-5 OC(C(OC1=C(O)C2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O InChI=1S/C19H14O11/c20-8-3-1-7(2-4-8)9-6-29-16-12(13(9)22)10(21)5-11(14(16)23)30-17(19(27)28)15(24)18(25)26/h1-6,15,17,20-21,23-24H,(H,25,26)(H,27,28) DGJSSBCAHRQASY-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Isoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Alpha hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Chromones Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Monosaccharides Organic oxides Oxacyclic compounds Phenoxyacetic acid derivatives Pyranones and derivatives Secondary alcohols Sugar acids and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Alpha-hydroxy acid Aromatic heteropolycyclic compound Benzenoid Benzopyran Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Chromone Dicarboxylic acid or derivatives Ether Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenoxyacetate Pyran Pyranone Secondary alcohol Sugar acid Vinylogous acid logp 2.18 ALOGPS logs -2.97 ALOGPS solubility 4.45e-01 g/l ALOGPS melting_point Mp 209-212° dec. logp 1.61 ChemAxon pka_strongest_acidic 2.48 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2-{[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-hydroxybutanedioic acid ChemAxon average_mass 418.3079 ChemAxon mono_mass 418.05361129 ChemAxon smiles OC(C(OC1=C(O)C2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O ChemAxon formula C19H14O11 ChemAxon inchi InChI=1S/C19H14O11/c20-8-3-1-7(2-4-8)9-6-29-16-12(13(9)22)10(21)5-11(14(16)23)30-17(19(27)28)15(24)18(25)26/h1-6,15,17,20-21,23-24H,(H,25,26)(H,27,28) ChemAxon inchikey DGJSSBCAHRQASY-UHFFFAOYSA-N ChemAxon polar_surface_area 191.05 ChemAxon refractivity 96.1 ChemAxon polarizability 38.25 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26013 Specdb::CMs 43945 Specdb::CMs 153278 Specdb::CMs 153761 Specdb::CMs 153763 Specdb::CMs 279950 Specdb::MsMs 48093 Specdb::MsMs 48094 Specdb::MsMs 48095 Specdb::MsMs 117843 Specdb::MsMs 117844 Specdb::MsMs 117845 Specdb::MsMs 2301936 Specdb::MsMs 2301937 Specdb::MsMs 2301938 Specdb::MsMs 3064400 Specdb::MsMs 3064401 Specdb::MsMs 3064402 HMDB34590 #<Reference:0x000055ce3265e1f8> Herbs and Spices Unknown generic