1.02010-04-08 22:05:27 UTC2019-11-26 02:57:44 UTCFDB002640(±)-3',7-Dihydroxy-2',4'-dimethoxyisoflavanIsolated from Astragalus gummifer (tragacanth). (±)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan is found in common bean, yellow wax bean, and green bean.(+-)-Mucronulatol7,3'-Dihydroxy-2',4'-dimethoxyisoflavanC17H18O5302.3218302.1154236863-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol57128-11-7COC1=C(O)C(OC)=C(C=C1)C1COC2=CC(O)=CC=C2C1InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3NUNFZNIXYWTZMW-UHFFFAOYSA-N belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone.3'-hydroxy,4'-methoxyisoflavonoidsOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsO-methylated isoflavonoidsAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2'-O-methylated isoflavonoidsAlkyl aryl ethersAnisolesDimethoxybenzenesHydrocarbon derivativesHydroxyisoflavonoidsIsoflavanolsMethoxyphenolsOxacyclic compoundsPhenoxy compounds1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid2p-methoxyisoflavonoid-skeleton3'-hydroxy,4'-methoxyisoflavonoidAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromaneDimethoxybenzeneEtherHydrocarbon derivativeHydroxyisoflavonoidIsoflavanIsoflavanolM-dimethoxybenzeneMethoxybenzeneMethoxyphenolMonocyclic benzene moietyOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPhenol etherPhenoxy compoundlogp2.76logs-3.72solubility5.76e-02 g/lmelting_pointMp 227-229°logp2.88pka_strongest_acidic9.25pka_strongest_basic-4.4iupac3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-olaverage_mass302.3218mono_mass302.115423686smilesCOC1=C(O)C(OC)=C(C=C1)C1COC2=CC(O)=CC=C2C1formulaC17H18O5inchiInChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3inchikeyNUNFZNIXYWTZMW-UHFFFAOYSA-Npolar_surface_area68.15refractivity81.89polarizability31.74rotatable_bond_count3acceptor_count5donor_count2physiological_charge0formal_charge0Specdb::CMs14102Specdb::CMs42114Specdb::CMs131670Specdb::CMs139404Specdb::MsMs10541Specdb::MsMs10542Specdb::MsMs10543Specdb::MsMs17213Specdb::MsMs17214Specdb::MsMs17215Specdb::MsMs2440744Specdb::MsMs2440745Specdb::MsMs2440746Specdb::MsMs2525787Specdb::MsMs2525788Specdb::MsMs2525789HMDB30717#<Reference:0x0000555675bedcc0>Common beanType 1specificPhaseolus vulgaris3885Green beanType 1specificPhaseolus vulgaris3885Yellow wax beanType 1specificPhaseolus vulgaris3885