1.0 2010-04-08 22:10:04 UTC 2019-11-26 03:06:26 UTC FDB012235 3-Hydroxy-4,9-dimethoxypterocarpan Constituent of Trifolium repens (white clover). 3-Hydroxy-4,9-dimethoxypterocarpan is found in tea, herbs and spices, and green vegetables. 3-Hydroxy-4,9-dimethoxypterocarpan 4-Methoxymedicarpin C17H16O5 300.3059 300.099773622 6,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-ol 6,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-ol COC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3OC)C1O2 InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-16-11(15(12)22-14(10)7-9)5-6-13(18)17(16)20-2/h3-7,12,15,18H,8H2,1-2H3 IPDALSAPRYQWGQ-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 2.84 ALOGPS logs -3.53 ALOGPS solubility 8.78e-02 g/l ALOGPS melting_point Mp 158-160° logp 2.35 ChemAxon pka_strongest_acidic 9.93 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 6,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-ol ChemAxon average_mass 300.3059 ChemAxon mono_mass 300.099773622 ChemAxon smiles COC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3OC)C1O2 ChemAxon formula C17H16O5 ChemAxon inchi InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-16-11(15(12)22-14(10)7-9)5-6-13(18)17(16)20-2/h3-7,12,15,18H,8H2,1-2H3 ChemAxon inchikey IPDALSAPRYQWGQ-UHFFFAOYSA-N ChemAxon polar_surface_area 57.15 ChemAxon refractivity 79.52 ChemAxon polarizability 31.17 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21754 Specdb::CMs 43638 Specdb::CMs 151797 Specdb::MsMs 108810 Specdb::MsMs 108811 Specdb::MsMs 108812 Specdb::MsMs 176121 Specdb::MsMs 176122 Specdb::MsMs 176123 Specdb::MsMs 2386772 Specdb::MsMs 2386773 Specdb::MsMs 2386774 Specdb::MsMs 2579280 Specdb::MsMs 2579281 Specdb::MsMs 2579282 HMDB34001 #<Reference:0x000055ce3223c4a8> Black tea Type 1 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442