1.0 2010-04-08 22:09:34 UTC 2019-11-26 03:04:46 UTC FDB011287 2',4',5,7,8-Pentahydroxyisoflavone Constituent of Phaseolus lunatus (butter bean). 2',4',5,7,8-Pentahydroxyisoflavone is found in pulses and lima bean. 3-(2,4-Dihydroxyphenyl)-5,7,8-trihydroxy-4H-1-benzopyran-4-one, 9CI 5,7,8,2',4'-Pentahydroxyisoflavone C15H10O7 302.2357 302.042652674 3-(2,4-dihydroxyphenyl)-5,7,8-trihydroxy-4H-chromen-4-one 3-(2,4-dihydroxyphenyl)-5,7,8-trihydroxychromen-4-one 104363-16-8 OC1=CC(O)=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2O)C1=O InChI=1S/C15H10O7/c16-6-1-2-7(9(17)3-6)8-5-22-15-12(13(8)20)10(18)4-11(19)14(15)21/h1-5,16-19,21H LOLNVJIGYUJCIY-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 Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Resorcinols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyran Pyranone Resorcinol Vinylogous acid Isoflavonoids logp 2.26 ALOGPS logs -3.15 ALOGPS solubility 2.13e-01 g/l ALOGPS logp 2.47 ChemAxon pka_strongest_acidic 6.78 ChemAxon pka_strongest_basic -5.1 ChemAxon iupac 3-(2,4-dihydroxyphenyl)-5,7,8-trihydroxy-4H-chromen-4-one ChemAxon average_mass 302.2357 ChemAxon mono_mass 302.042652674 ChemAxon smiles OC1=CC(O)=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2O)C1=O ChemAxon formula C15H10O7 ChemAxon inchi InChI=1S/C15H10O7/c16-6-1-2-7(9(17)3-6)8-5-22-15-12(13(8)20)10(18)4-11(19)14(15)21/h1-5,16-19,21H ChemAxon inchikey LOLNVJIGYUJCIY-UHFFFAOYSA-N ChemAxon polar_surface_area 127.45 ChemAxon refractivity 75.64 ChemAxon polarizability 28.31 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19329 Specdb::CMs 43181 Specdb::CMs 134012 Specdb::CMs 141746 Specdb::MsMs 70563 Specdb::MsMs 70564 Specdb::MsMs 70565 Specdb::MsMs 129084 Specdb::MsMs 129085 Specdb::MsMs 129086 Specdb::MsMs 3057826 Specdb::MsMs 3057827 Specdb::MsMs 3057828 Specdb::MsMs 3112502 Specdb::MsMs 3112503 Specdb::MsMs 3112504 HMDB33264 #<Reference:0x000055ce30f30a30> Lima bean Type 1 specific Phaseolus lunatus 3884 Pulses Unknown generic