1.0 2010-04-08 22:05:03 UTC 2025-11-18 22:32:23 UTC FDB001650 5-O-Methylgenistein 5-o-methylgenistein 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, 5-o-methylgenistein is considered to be a flavonoid lipid molecule. 5-o-methylgenistein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-o-methylgenistein can be found in scarlet bean, which makes 5-o-methylgenistein a potential biomarker for the consumption of this food product. Isoprunetin C16H12O5 284.2635 284.068473494 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-4H-chromen-4-one 5-O-methylgenistein 4569-98-6 COC1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 InChI=1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 YSINCDVRUMTOPK-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 Vinylogous esters 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 Vinylogous ester Isoflavonoids logp 3.35 ALOGPS logs -3.70 ALOGPS solubility 5.67e-02 g/l ALOGPS logp 2.57 ChemAxon pka_strongest_acidic 6.54 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-4H-chromen-4-one ChemAxon average_mass 284.2635 ChemAxon mono_mass 284.068473494 ChemAxon smiles COC1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 ChemAxon formula C16H12O5 ChemAxon inchi InChI=1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 ChemAxon inchikey YSINCDVRUMTOPK-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 76.17 ChemAxon polarizability 28.53 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 96426 Specdb::MsMs 96427 Specdb::MsMs 96428 Specdb::MsMs 160905 Specdb::MsMs 160906 Specdb::MsMs 160907 Specdb::MsMs 3597977 Specdb::MsMs 3597978 Specdb::MsMs 3597979 Specdb::MsMs 3597980 Specdb::MsMs 3597981 Specdb::MsMs 3597982 Scarlet bean Type 1 specific Phaseolus coccineus 3886