1.0 2010-04-08 22:04:33 UTC 2020-02-24 19:10:07 UTC FDB000380 1-Methoxyphaseollidin Isolated from seeds of Psophocarpus tetragonolobus (winged bean). 1-Methoxyphaseollidin is found in winged bean and pulses. 1-Methoxyphaseollidin 3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan C21H22O5 354.3964 354.146723814 3-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol 3-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol 65428-13-9 COC1=C2C3OC4=C(C=CC(O)=C4CC=C(C)C)C3COC2=CC(O)=C1 InChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3 YKTZRMXYANFKQR-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 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 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 Pterocarpans logp 3.66 ALOGPS logs -4.09 ALOGPS solubility 2.86e-02 g/l ALOGPS logp 3.93 ChemAxon pka_strongest_acidic 9.07 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 3-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol ChemAxon average_mass 354.3964 ChemAxon mono_mass 354.146723814 ChemAxon smiles COC1=C2C3OC4=C(C=CC(O)=C4CC=C(C)C)C3COC2=CC(O)=C1 ChemAxon formula C21H22O5 ChemAxon inchi InChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3 ChemAxon inchikey YKTZRMXYANFKQR-UHFFFAOYSA-N ChemAxon polar_surface_area 68.15 ChemAxon refractivity 99.28 ChemAxon polarizability 37.77 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25848 Specdb::CMs 41273 Specdb::CMs 153582 Specdb::MsMs 92490 Specdb::MsMs 92491 Specdb::MsMs 92492 Specdb::MsMs 156123 Specdb::MsMs 156124 Specdb::MsMs 156125 Specdb::MsMs 2292909 Specdb::MsMs 2292910 Specdb::MsMs 2292911 Specdb::MsMs 2645319 Specdb::MsMs 2645320 Specdb::MsMs 2645321 HMDB29319 #<Reference:0x000055ce306e9840> Pulses Unknown generic Winged bean Type 1 specific Psophocarpus tetragonolobus 3891