1.0 2010-04-08 22:05:03 UTC 2025-11-18 22:32:24 UTC FDB001655 2-Prenyl-6alpha-hydroxyphaseollidin 2-prenyl-6alpha-hydroxyphaseollidin is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Thus, 2-prenyl-6alpha-hydroxyphaseollidin is considered to be a flavonoid lipid molecule. 2-prenyl-6alpha-hydroxyphaseollidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-prenyl-6alpha-hydroxyphaseollidin can be found in lima bean, which makes 2-prenyl-6alpha-hydroxyphaseollidin a potential biomarker for the consumption of this food product. 3,6a,9-Trihydroxy-2,10-diprenylpterocarpan C25H28O5 408.4868 408.193674006 4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,10,14-triol 4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,10,14-triol 104363-19-1 CC(C)=CCC1=CC2=C(OCC3(O)C2OC2=C(CC=C(C)C)C(O)=CC=C32)C=C1O InChI=1S/C25H28O5/c1-14(2)5-7-16-11-18-22(12-21(16)27)29-13-25(28)19-9-10-20(26)17(8-6-15(3)4)23(19)30-24(18)25/h5-6,9-12,24,26-28H,7-8,13H2,1-4H3 ZAAKSBRPXNODLV-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 Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds Polyols Tertiary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumaran Ether Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Pterocarpan Tertiary alcohol Pterocarpans logp 4.40 ALOGPS logs -4.76 ALOGPS solubility 7.06e-03 g/l ALOGPS logp 5.17 ChemAxon pka_strongest_acidic 8.91 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,10,14-triol ChemAxon average_mass 408.4868 ChemAxon mono_mass 408.193674006 ChemAxon smiles CC(C)=CCC1=CC2=C(OCC3(O)C2OC2=C(CC=C(C)C)C(O)=CC=C32)C=C1O ChemAxon formula C25H28O5 ChemAxon inchi InChI=1S/C25H28O5/c1-14(2)5-7-16-11-18-22(12-21(16)27)29-13-25(28)19-9-10-20(26)17(8-6-15(3)4)23(19)30-24(18)25/h5-6,9-12,24,26-28H,7-8,13H2,1-4H3 ChemAxon inchikey ZAAKSBRPXNODLV-UHFFFAOYSA-N ChemAxon polar_surface_area 79.15 ChemAxon refractivity 118.15 ChemAxon polarizability 44.33 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81030 Specdb::MsMs 81031 Specdb::MsMs 81032 Specdb::MsMs 142050 Specdb::MsMs 142051 Specdb::MsMs 142052 Specdb::MsMs 3597995 Specdb::MsMs 3597996 Specdb::MsMs 3597997 Specdb::MsMs 3597998 Specdb::MsMs 3597999 Specdb::MsMs 3598000 Lima bean Type 1 specific Phaseolus lunatus 3884