1.0 2010-04-08 22:09:53 UTC 2018-05-28 23:32:20 UTC FDB011895 Dihydroformononetin Constituent of Myroxylon balsamum (Tolu balsam) trunkwood. 7-Hydroxy-4'-methoxyisoflavanone C16H14O4 270.28 270.089208936 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one dihydroformononetin 4626-22-6 COC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3 INYISIYHXQDCPK-UHFFFAOYSA-N belongs to the class of organic compounds known as 4'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one. 4'-O-methylated isoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Isoflavanones Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4p-methoxyisoflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Isoflavanone Ketone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Isoflavonoids logp 3.01 ALOGPS logs -3.51 ALOGPS solubility 8.44e-02 g/l ALOGPS melting_point Mp 185-188° logp 2.53 ChemAxon pka_strongest_acidic 7.78 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 270.28 ChemAxon mono_mass 270.089208936 ChemAxon smiles COC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O ChemAxon formula C16H14O4 ChemAxon inchi InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3 ChemAxon inchikey INYISIYHXQDCPK-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 74.18 ChemAxon polarizability 27.79 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5937 Specdb::CMs 43487 Specdb::CMs 162882 Specdb::MsMs 12854 Specdb::MsMs 12855 Specdb::MsMs 12856 Specdb::MsMs 19526 Specdb::MsMs 19527 Specdb::MsMs 19528 Specdb::MsMs 2297731 Specdb::MsMs 2297732 Specdb::MsMs 2297733 Specdb::MsMs 2638084 Specdb::MsMs 2638085 Specdb::MsMs 2638086 HMDB33759 #<Reference:0x000055ce32033440>