1.0 2010-04-08 22:10:15 UTC 2019-11-26 03:07:09 UTC FDB012590 Glyceollin IV Phytoalexin 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-prenylpterocarpan Glyceollin IV C21H22O5 354.3964 354.146723814 5-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-diol 5-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-diol 69393-94-8 COC1=CC2=C(C=C1CC=C(C)C)C1OC3=C(C=CC(O)=C3)C1(O)CO2 InChI=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,5,11H2,1-3H3 WOKIXZBYDPTMJD-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. Pterocarpans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Furanoisoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds Tertiary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumaran Ether Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan Tertiary alcohol Pterocarpans logp 3.23 ALOGPS logs -3.94 ALOGPS solubility 4.07e-02 g/l ALOGPS logp 3.58 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 5-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-diol ChemAxon average_mass 354.3964 ChemAxon mono_mass 354.146723814 ChemAxon smiles COC1=CC2=C(C=C1CC=C(C)C)C1OC3=C(C=CC(O)=C3)C1(O)CO2 ChemAxon formula C21H22O5 ChemAxon inchi InChI=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,5,11H2,1-3H3 ChemAxon inchikey WOKIXZBYDPTMJD-UHFFFAOYSA-N ChemAxon polar_surface_area 68.15 ChemAxon refractivity 98.39 ChemAxon polarizability 38.56 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16023 Specdb::CMs 43787 Specdb::CMs 161263 Specdb::MsMs 72141 Specdb::MsMs 72142 Specdb::MsMs 72143 Specdb::MsMs 130968 Specdb::MsMs 130969 Specdb::MsMs 130970 Specdb::MsMs 2839269 Specdb::MsMs 2839270 Specdb::MsMs 2839271 Specdb::MsMs 2870285 Specdb::MsMs 2870286 Specdb::MsMs 2870287 HMDB34264 #<Reference:0x000055ce33040f90> Fats and oils Unknown generic Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847 Fungicide 940 A substance used to destroy fungal pests. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Phytoalexin 1223 A toxin made by a plant that acts against an organism attacking it.