1.0 2010-04-08 22:10:04 UTC 2019-11-26 03:06:28 UTC FDB012245 Trifolian Isolated from roots of Trifolium pratense (red clover). Trifolian is found in tea and herbs and spices. 1,3-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan Trifolian C17H14O7 330.2889 330.073952802 15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaene-14,16-diol trifolian 73520-83-9 COC1=C(O)C2=C(OCC3C2OC2=CC4=C(OCO4)C=C32)C=C1O InChI=1S/C17H14O7/c1-20-17-9(18)3-13-14(15(17)19)16-8(5-21-13)7-2-11-12(23-6-22-11)4-10(7)24-16/h2-4,8,16,18-19H,5-6H2,1H3 PCVFSIAOIHIYNK-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 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Benzodioxoles Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzofuran Benzopyran Chromane Coumaran Ether Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan Pterocarpans logp 2.20 ALOGPS logs -2.66 ALOGPS solubility 7.27e-01 g/l ALOGPS melting_point Mp 132-134° logp 1.83 ChemAxon pka_strongest_acidic 9.41 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaene-14,16-diol ChemAxon average_mass 330.2889 ChemAxon mono_mass 330.073952802 ChemAxon smiles COC1=C(O)C2=C(OCC3C2OC2=CC4=C(OCO4)C=C32)C=C1O ChemAxon formula C17H14O7 ChemAxon inchi InChI=1S/C17H14O7/c1-20-17-9(18)3-13-14(15(17)19)16-8(5-21-13)7-2-11-12(23-6-22-11)4-10(7)24-16/h2-4,8,16,18-19H,5-6H2,1H3 ChemAxon inchikey PCVFSIAOIHIYNK-UHFFFAOYSA-N ChemAxon polar_surface_area 86.61 ChemAxon refractivity 80.81 ChemAxon polarizability 32.57 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22215 Specdb::CMs 43644 Specdb::CMs 132255 Specdb::CMs 139989 Specdb::MsMs 7238 Specdb::MsMs 7239 Specdb::MsMs 7240 Specdb::MsMs 13910 Specdb::MsMs 13911 Specdb::MsMs 13912 Specdb::MsMs 2280397 Specdb::MsMs 2280398 Specdb::MsMs 2280399 Specdb::MsMs 3084433 Specdb::MsMs 3084434 Specdb::MsMs 3084435 HMDB34009 #<Reference:0x000055ce317e3d30> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442