1.02010-04-08 22:10:15 UTC2019-11-26 03:07:09 UTCFDB012590Glyceollin IVPhytoalexin from Glycine max (soybean) and Psophocarpus tetragonolobus (winged bean). Glyceollin IV is found in soy bean, fats and oils, and pulses.6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpanGlyceollin IVC21H22O5354.3964354.1467238145-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-10,14-diol5-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-10,14-diol69393-94-8COC1=CC2=C(C=C1CC=C(C)C)C1OC3=C(C=CC(O)=C3)C1(O)CO2InChI=1S/C21H22O5/c1-12(2)4-5-13-8-15-18(10-17(13)24-3)25-11-21(23)16-7-6-14(22)9-19(16)26-20(15)21/h4,6-10,20,22-23H,5,11H2,1-3H3WOKIXZBYDPTMJD-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 polyketidesIsoflavonoidsFuranoisoflavonoidslogp3.23logs-3.94solubility4.07e-02 g/llogp3.58pka_strongest_acidic9.4pka_strongest_basic-4.1iupac5-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-10,14-diolaverage_mass354.3964mono_mass354.146723814smilesCOC1=CC2=C(C=C1CC=C(C)C)C1OC3=C(C=CC(O)=C3)C1(O)CO2formulaC21H22O5inchiInChI=1S/C21H22O5/c1-12(2)4-5-13-8-15-18(10-17(13)24-3)25-11-21(23)16-7-6-14(22)9-19(16)26-20(15)21/h4,6-10,20,22-23H,5,11H2,1-3H3inchikeyWOKIXZBYDPTMJD-UHFFFAOYSA-Npolar_surface_area68.15refractivity98.39polarizability38.56rotatable_bond_count3acceptor_count5donor_count2physiological_charge0formal_charge0Specdb::CMs16023Specdb::CMs43787Specdb::CMs161263Specdb::MsMs72141Specdb::MsMs72142Specdb::MsMs72143Specdb::MsMs130968Specdb::MsMs130969Specdb::MsMs130970Specdb::MsMs2839269Specdb::MsMs2839270Specdb::MsMs2839271Specdb::MsMs2870285Specdb::MsMs2870286Specdb::MsMs2870287HMDB34264#<Reference:0x00005556756a7950>Fats and oilsUnknowngenericPulsesUnknowngenericSoy 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.