1.02010-04-08 22:10:08 UTC2019-11-26 03:06:39 UTCFDB012378GlyceofuranIsolated from cotyledons and hypocotyls of Glycine max after treatment with Pseudomonas pisi or sodium iodoacetate. Glyceofuran is found in soy bean and pulses.2-(1-Hydroxy-1-methylethyl)-6H-benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6a,9(11aH)-diol, 9CIC20H18O6354.3533354.1103383086-(2-hydroxypropan-2-yl)-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,5,8,14(19),15,17-heptaene-13,17-diol6-(2-hydroxypropan-2-yl)-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,5,8,14(19),15,17-heptaene-13,17-diol78873-52-6CC(C)(O)C1=CC2=CC3=C(OCC4(O)C3OC3=C4C=CC(O)=C3)C=C2O1InChI=1S/C20H18O6/c1-19(2,22)17-6-10-5-12-15(8-14(10)25-17)24-9-20(23)13-4-3-11(21)7-16(13)26-18(12)20/h3-8,18,21-23H,9H2,1-2H3FLURXOFTUKXKQN-UHFFFAOYSA-N belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.PterocarpansOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsFuranoisoflavonoidsAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsAlkyl aryl ethersAromatic alcoholsBenzofuransCoumaransFuransHeteroaromatic compoundsHydrocarbon derivativesIsoflavanolsOxacyclic compoundsTertiary alcohols1-benzopyran1-hydroxy-2-unsubstituted benzenoidAlcoholAlkyl aryl etherAromatic alcoholAromatic heteropolycyclic compoundBenzenoidBenzofuranBenzopyranChromaneCoumaranEtherFuranHeteroaromatic compoundHydrocarbon derivativeIsoflavanIsoflavanolOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePterocarpanTertiary alcoholPterocarpanslogp2.59logs-3.13solubility2.65e-01 g/lmelting_pointMp 181° dec.logp2.02pka_strongest_acidic9.4pka_strongest_basic-3.4iupac6-(2-hydroxypropan-2-yl)-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,5,8,14(19),15,17-heptaene-13,17-diolaverage_mass354.3533mono_mass354.110338308smilesCC(C)(O)C1=CC2=CC3=C(OCC4(O)C3OC3=C4C=CC(O)=C3)C=C2O1formulaC20H18O6inchiInChI=1S/C20H18O6/c1-19(2,22)17-6-10-5-12-15(8-14(10)25-17)24-9-20(23)13-4-3-11(21)7-16(13)26-18(12)20/h3-8,18,21-23H,9H2,1-2H3inchikeyFLURXOFTUKXKQN-UHFFFAOYSA-Npolar_surface_area92.29refractivity92.28polarizability37.35rotatable_bond_count1acceptor_count5donor_count3physiological_charge0formal_charge0Specdb::CMs25269Specdb::CMs43714Specdb::CMs131829Specdb::CMs139563Specdb::MsMs11660Specdb::MsMs11661Specdb::MsMs11662Specdb::MsMs18332Specdb::MsMs18333Specdb::MsMs18334Specdb::MsMs2810195Specdb::MsMs2810196Specdb::MsMs2810197Specdb::MsMs2894933Specdb::MsMs2894934Specdb::MsMs2894935HMDB34111#<Reference:0x000055567419aaa8>PulsesUnknowngenericSoy beanType 1specificGlycine max3847fungicide940A substance used to destroy fungal pests.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.phytoalexin1223A toxin made by a plant that acts against an organism attacking it.