1.0 2010-04-08 22:04:40 UTC 2019-11-26 02:55:14 UTC FDB000698 Glycitein Isoflavone present in soya foods (inc. tofu, miso); potential nutriceutical [DFC]. Glycitein is a biomarker for the consumption of soy beans and other soy products. Glycitein is found in many foods, some of which are miso, soy bean, soy milk, and soy sauce. 4-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-7-one 4,7-Dihydroxy-6-methoxyisoflavone 4',7-Dihydroxy-6-methoxyisoflavone 6-Methoxydaidzein 7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one 7,4'-Dihydroxy-6-methoxyisoflavone Glycitein C16H12O5 284.267 284.068473486 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one glycitein 40957-83-3 COC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1 InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 DXYUAIFZCFRPTH-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 Anisoles Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone 7-hydroxyisoflavone Isoflavonoids Isoflavonoids isoflavones methoxyisoflavone Solid logp 3.35 ALOGPS logs -3.71 ALOGPS solubility 5.56e-02 g/l ALOGPS melting_point Mp 337-339° (311-313°) logp 2.57 ChemAxon pka_strongest_acidic 6.92 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one ChemAxon average_mass 284.267 ChemAxon mono_mass 284.068473486 ChemAxon smiles COC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1 ChemAxon formula C16H12O5 ChemAxon inchi InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 ChemAxon inchikey DXYUAIFZCFRPTH-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 76.17 ChemAxon polarizability 28.81 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5862 Specdb::CMs 38882 Specdb::CMs 160350 Specdb::MsMs 102900 Specdb::MsMs 102901 Specdb::MsMs 102902 Specdb::MsMs 168789 Specdb::MsMs 168790 Specdb::MsMs 168791 Specdb::MsMs 285936 Specdb::MsMs 285937 Specdb::MsMs 285938 Specdb::MsMs 285939 Specdb::MsMs 285940 Specdb::MsMs 285941 Specdb::MsMs 373863 Specdb::MsMs 373864 Specdb::MsMs 373865 Specdb::MsMs 373866 Specdb::MsMs 373867 Specdb::MsMs 373868 Specdb::MsMs 439533 Specdb::MsMs 439534 Specdb::MsMs 439998 Specdb::MsMs 439999 Specdb::MsMs 440365 Specdb::MsMs 440366 Specdb::MsMs 440367 HMDB05781 #<Reference:0x000055ce31dcf370> #<Reference:0x000055ce31dcf168> Adzuki bean Type 1 specific Vigna angularis 3914 0.0 0.0 0.0 mg/100 g Albacore tuna Type 1 specific Thunnus alalunga 8235 0.02 0.02 0.02 mg/100 g Alfalfa Type 1 specific Medicago sativa 3879 0.0 0.0 0.0 mg/100 g Almond Type 1 specific Prunus dulcis 3755 0.0 0.0 0.0 mg/100 g American cranberry Type 1 specific Vaccinium macrocarpon 13750 0.0 0.0 0.0 mg/100 g Apricot Type 1 specific Prunus armeniaca 36596 0.0 0.0 0.0 mg/100 g Arabica coffee Type 1 specific Coffea arabica 13443 0.0 0.0 0.0 mg/100 g Baked beans Type 2 specific 0.0 0.0 0.0 mg/100 g Bean Type 1 specific 0.0 0.0 0.0 mg/100 g Blackcurrant Type 1 specific Ribes nigrum 78511 0.0 0.0 0.0 mg/100 g Broad bean Type 1 specific Vicia faba 3906 0.28 0.28 0.28 mg/100 g Cake Type 2 specific 0.0 0.0 0.0 mg/100 g Cashew nut Type 1 specific Anacardium occidentale 171929 0.0 0.0 0.0 mg/100 g Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 0.06 0.1 0.02 mg/100 g Chickpea Type 1 specific Cicer arietinum 3827 0.18 0.18 0.18 mg/100 g Chili Type 2 specific 0.16 0.17 0.15 mg/100 g Coffee Type 1 generic Coffea 13442 0.0 0.0 0.0 mg/100 g Common bean Type 1 specific Phaseolus vulgaris 3885 0.002857 0.01 0.0 mg/100 g Common grape Type 1 specific Vitis vinifera 29760 0.0 0.0 0.0 mg/100 g Common pea Type 1 specific Pisum sativum 3888 0.0 0.0 0.0 mg/100 g Common walnut Type 1 specific Juglans regia 51240 0.0 0.0 0.0 mg/100 g Couscous Type 2 specific 0.0 0.0 0.0 mg/100 g Date Type 1 specific Phoenix dactylifera 42345 0.0 0.0 0.0 mg/100 g Eggs Unknown generic 0.0 0.0 0.0 mg/100 g European chestnut Type 1 specific Castanea sativa 21020 0.0 0.0 0.0 mg/100 g Flaxseed Type 1 specific Linum usitatissimum 4006 0.06 0.06 0.06 mg/100 g Garlic Type 1 specific Allium sativum 4682 0.0 0.0 0.0 mg/100 g Gram bean Type 1 specific Vigna mungo 3915 0.0 0.0 0.0 mg/100 g Hazelnut Type 1 specific Corylus 13450 0.0 0.0 0.0 mg/100 g Hummus Type 2 specific 0.0 0.0 0.0 mg/100 g Lentils Type 1 generic Lens culinaris 3864 0.0 0.0 0.0 mg/100 g Margarine-like spread Type 2 specific 0.05 0.05 0.05 mg/100 g Milk (Cow) Type 2 specific 0.02835 0.02835 0.02835 uM Miso Type 2 specific 4.2438 11.339999914 0.03 mg/100 g Multigrain bread Type 2 specific 0.0 0.0 0.0 mg/100 g Mung bean Type 1 specific Vigna radiata 157791 0.0 0.0 0.0 mg/100 g Natto Type 2 specific 10.55 10.55 10.55 mg/100 g Nutritional drink Type 2 specific 0.0 0.0 0.0 mg/100 g Olive Type 1 specific Olea europaea 4146 0.0 0.0 0.0 mg/100 g Other bread product Type 2 specific 0.0 0.0 0.0 mg/100 g Other fish product Type 2 specific 0.0 0.0 0.0 mg/100 g Other snack food Type 2 specific 1.15 2.3 0.0 mg/100 g Other soy product Type 2 specific 3.164289 18.366666436 0.0 mg/100 g Pastry Type 2 specific 0.115 0.29 0.0 mg/100 g Peanut Type 1 specific Arachis hypogaea 3818 0.08 0.08 0.08 mg/100 g Pistachio Type 1 specific Pistacia vera 55513 0.0 0.0 0.0 mg/100 g Pizza Type 2 specific 0.0 0.0 0.0 mg/100 g Pulses Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 0.0 0.0 0.0 mg/100 g Sauce Type 2 specific 0.2 0.55 0.0 mg/100 g Sausage Type 2 specific 0.033333 0.1 0.0 mg/100 g Scarlet bean Type 1 specific Phaseolus coccineus 3886 0.0 0.0 0.0 mg/100 g Snack bar Type 2 specific 1.0 1.2 0.6 mg/100 g Soup Type 2 specific 0.0175 0.07 0.0 mg/100 g Soy bean Type 1 specific Glycine max 3847 8.592581 22.37 0.0 mg/100 g Soy milk Type 2 specific 2.286363 15.43 0.0 mg/100 g Soy sauce Type 2 specific 0.07527 0.150000006 0.0 mg/100 g Soy yogurt Type 2 specific 1.432333 2.8 0.296999991 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 0.0 0.0 0.0 mg/100 g Thunnus Type 1 specific Thunnus 8234 0.0 0.0 0.0 mg/100 g Tofu Type 2 specific 2.068489 4.95 0.295164835 mg/100 g Vegetable juice Type 2 specific 0.0 0.0 0.0 mg/100 g Vegetarian food Type 2 specific 1.705 8.33 0.06 mg/100 g Wheat bread Type 2 specific 0.025 0.1 0.0 mg/100 g White lupine Type 1 specific Lupinus albus 3870 0.0 0.0 0.0 mg/100 g Yogurt Type 2 specific 1.432333 2.8 0.296999991 mg/100 g Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Estrogenic 922 Fungicide 940 A substance used to destroy fungal pests. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.