1.0 2010-04-08 22:09:35 UTC 2025-11-18 23:26:25 UTC FDB011342 Irisone B Irisone b, also known as 2',5-dihydroxy-6,7-methylenedioxyisoflavone, is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, irisone b is considered to be a flavonoid lipid molecule. Irisone b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Irisone b can be found in common beet, which makes irisone b a potential biomarker for the consumption of this food product. 2',5-Dihydroxy-6,7-methylenedioxyisoflavone Irisone B C16H10O6 298.247 298.047738052 9-hydroxy-7-(2-hydroxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one irisone B 97359-75-6 OC1=CC=CC=C1C1=COC2=C(C(O)=C3OCOC3=C2)C1=O InChI=1S/C16H10O6/c17-10-4-2-1-3-8(10)9-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(9)18/h1-6,17,19H,7H2 ITRQVDOUFMSYII-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 1-hydroxy-4-unsubstituted benzenoids Acetals Benzene and substituted derivatives Benzodioxoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzopyran Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Vinylogous acid Isoflavonoids logp 2.74 ALOGPS logs -3.16 ALOGPS solubility 2.08e-01 g/l ALOGPS melting_point Mp 230-233° logp 3 ChemAxon pka_strongest_acidic 8.48 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 9-hydroxy-7-(2-hydroxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one ChemAxon average_mass 298.247 ChemAxon mono_mass 298.047738052 ChemAxon smiles OC1=CC=CC=C1C1=COC2=C(C(O)=C3OCOC3=C2)C1=O ChemAxon formula C16H10O6 ChemAxon inchi InChI=1S/C16H10O6/c17-10-4-2-1-3-8(10)9-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(9)18/h1-6,17,19H,7H2 ChemAxon inchikey ITRQVDOUFMSYII-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 75.47 ChemAxon polarizability 28.83 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 96015 Specdb::MsMs 96016 Specdb::MsMs 96017 Specdb::MsMs 160413 Specdb::MsMs 160414 Specdb::MsMs 160415 Specdb::MsMs 3605224 Specdb::MsMs 3605225 Specdb::MsMs 3605226 Specdb::MsMs 3605227 Specdb::MsMs 3605228 Specdb::MsMs 3605229 Common beet Type 1 specific Beta vulgaris 161934