1.0 2010-04-08 22:10:06 UTC 2025-11-18 23:35:37 UTC FDB012305 Demethylmedicarpin (6ar,11ar)-3,9-dihydroxypterocarpan 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, (6ar,11ar)-3,9-dihydroxypterocarpan is considered to be a flavonoid lipid molecule (6ar,11ar)-3,9-dihydroxypterocarpan is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (6ar,11ar)-3,9-dihydroxypterocarpan can be found in a number of food items such as bayberry, sweet bay, agave, and red bell pepper, which makes (6ar,11ar)-3,9-dihydroxypterocarpan a potential biomarker for the consumption of these food products. 6a,11a-Dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 9CI Demethylmedicarpin C15H12O4 256.2534 256.073558872 8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11,13,15-hexaene-5,14-diol 8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11,13,15-hexaene-5,14-diol 61135-91-9 OC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3)C1O2 InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2 ODMIEGVTNZNSLD-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 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 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 Pterocarpans a small molecule logp 2.59 ALOGPS logs -3.01 ALOGPS solubility 2.49e-01 g/l ALOGPS logp 2.36 ChemAxon pka_strongest_acidic 9.18 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11,13,15-hexaene-5,14-diol ChemAxon average_mass 256.2534 ChemAxon mono_mass 256.073558872 ChemAxon smiles OC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3)C1O2 ChemAxon formula C15H12O4 ChemAxon inchi InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2 ChemAxon inchikey ODMIEGVTNZNSLD-UHFFFAOYSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 68.58 ChemAxon polarizability 26.15 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 57004 Specdb::CMs 65384 Specdb::CMs 137966 Specdb::CMs 145700 Specdb::MsMs 74100 Specdb::MsMs 74101 Specdb::MsMs 74102 Specdb::MsMs 133398 Specdb::MsMs 133399 Specdb::MsMs 133400 Specdb::MsMs 2465013 Specdb::MsMs 2465014 Specdb::MsMs 2465015 Specdb::MsMs 2501291 Specdb::MsMs 2501292 Specdb::MsMs 2501293 Common bean Type 1 specific Phaseolus vulgaris 3885 Mung bean Type 1 specific Vigna radiata 157791 Scarlet bean Type 1 specific Phaseolus coccineus 3886 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. Phytoalexin 1223 A toxin made by a plant that acts against an organism attacking it.