1.0 2010-04-08 22:05:00 UTC 2025-11-18 22:31:45 UTC FDB001511 Anhydroglycinol Anhydroglycinol, also known as 3,9-dihydroxypterocarpen, 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, anhydroglycinol is considered to be a flavonoid lipid molecule. Anhydroglycinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Anhydroglycinol can be found in common beet, which makes anhydroglycinol a potential biomarker for the consumption of this food product. 3,9-Dihydroxypterocarpen 3,9-Dihydroxypterocarpene C15H10O4 254.2375 254.057908808 8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11,13,15-heptaene-5,14-diol anhydroglycinol 67685-22-7 OC1=CC=C2C3=C(OC2=C1)C1=CC=C(O)C=C1OC3 InChI=1S/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2 WYIDBNAGSMCMET-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 Furans Heteroaromatic compounds Hydrocarbon derivatives Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Ether Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan Pterocarpanes Pterocarpans a small molecule pterocarpans pterocarpans logp 2.85 ALOGPS logs -3.04 ALOGPS solubility 2.34e-01 g/l ALOGPS logp 2.69 ChemAxon pka_strongest_acidic 8.73 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11,13,15-heptaene-5,14-diol ChemAxon average_mass 254.2375 ChemAxon mono_mass 254.057908808 ChemAxon smiles OC1=CC=C2C3=C(OC2=C1)C1=CC=C(O)C=C1OC3 ChemAxon formula C15H10O4 ChemAxon inchi InChI=1S/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2 ChemAxon inchikey WYIDBNAGSMCMET-UHFFFAOYSA-N ChemAxon polar_surface_area 62.83 ChemAxon refractivity 68.89 ChemAxon polarizability 26.34 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 76719 Specdb::MsMs 76720 Specdb::MsMs 76721 Specdb::MsMs 136629 Specdb::MsMs 136630 Specdb::MsMs 136631 Specdb::MsMs 3597637 Specdb::MsMs 3597638 Specdb::MsMs 3597639 Specdb::MsMs 3597640 Specdb::MsMs 3597641 Specdb::MsMs 3597642 Common beet Type 1 specific Beta vulgaris 161934