1.0 2010-04-08 22:10:11 UTC 2025-11-18 23:37:01 UTC FDB012460 Phaseollin Isolated from Phaseolus vulgaris (kidney bean) and Vigna unguiculata. Phaseollin is found in many foods, some of which are yellow wax bean, soy bean, pulses, and cowpea. (-)-Phaseollin 6b,12b-Dihydro-3,3-dimethyl-3H,7H-furo[3,2-c:5,4-f]bis[1]benzopyran-10-ol, 9CI Phaseolin Phaseolin fungicide C20H18O4 322.3545 322.120509064 17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol 17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol 13401-40-6 CC1(C)OC2=C(C=C1)C1=C(C=C2)C2COC3=C(C=CC(O)=C3)C2O1 InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3 LWTDZKXXJRRKDG-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-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumaran Ether Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan a pterocarpan logp 4.14 ALOGPS logs -4.66 ALOGPS solubility 7.00e-03 g/l ALOGPS melting_point Mp 177-178° logp 3.57 ChemAxon pka_strongest_acidic 9.42 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol ChemAxon average_mass 322.3545 ChemAxon mono_mass 322.120509064 ChemAxon smiles CC1(C)OC2=C(C=C1)C1=C(C=C2)C2COC3=C(C=CC(O)=C3)C2O1 ChemAxon formula C20H18O4 ChemAxon inchi InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3 ChemAxon inchikey LWTDZKXXJRRKDG-UHFFFAOYSA-N ChemAxon polar_surface_area 47.92 ChemAxon refractivity 90.99 ChemAxon polarizability 34.66 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13779 Specdb::CMs 43743 Specdb::CMs 135629 Specdb::CMs 143363 Specdb::MsMs 47646 Specdb::MsMs 47647 Specdb::MsMs 47648 Specdb::MsMs 158697 Specdb::MsMs 158698 Specdb::MsMs 158699 Specdb::MsMs 2818104 Specdb::MsMs 2818105 Specdb::MsMs 2818106 Specdb::MsMs 2887670 Specdb::MsMs 2887671 Specdb::MsMs 2887672 HMDB34173 #<Reference:0x000055ce3340d498> Common bean Type 1 specific Phaseolus vulgaris 3885 Cowpea Type 1 specific Vigna unguiculata 3917 Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Scarlet bean Type 1 specific Phaseolus coccineus 3886 Soy bean Type 1 specific Glycine max 3847 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885 Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti feedant 275 Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. 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.