1.0 2010-04-08 22:14:12 UTC 2025-11-19 02:17:47 UTC FDB019201 2-Hydroxypisatin 2-hydroxypisatin 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. 2-hydroxypisatin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxypisatin can be found in common pea, which makes 2-hydroxypisatin a potential biomarker for the consumption of this food product. (+)-Hydroxypisatin (6aR,11aR)2,6a-Dihydroxy-3-methoxy-8,9-methylenedioxypterocarpan 2-Hydroxypisatin 2,6a-Dihydroxy-3-methoxy-8,9-methylenedioxypterocarpan C17H14O7 330.2889 330.073952802 16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-2,4(8),9,13,15,17-hexaene-1,15-diol 16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-2,4(8),9,13,15,17-hexaene-1,15-diol 147821-58-7 COC1=C(O)C=C2C3OC4=CC5=C(OCO5)C=C4C3(O)COC2=C1 InChI=1S/C17H14O7/c1-20-13-4-11-8(2-10(13)18)16-17(19,6-21-11)9-3-14-15(23-7-22-14)5-12(9)24-16/h2-5,16,18-19H,6-7H2,1H3 PAURLKLZDUKKLK-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 Acetals Alkyl aryl ethers Anisoles Benzodioxoles Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds Tertiary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol 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 Tertiary alcohol logp 2.05 ALOGPS logs -2.39 ALOGPS solubility 1.36e+00 g/l ALOGPS logp 1.48 ChemAxon pka_strongest_acidic 10.18 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-2,4(8),9,13,15,17-hexaene-1,15-diol ChemAxon average_mass 330.2889 ChemAxon mono_mass 330.073952802 ChemAxon smiles COC1=C(O)C=C2C3OC4=CC5=C(OCO5)C=C4C3(O)COC2=C1 ChemAxon formula C17H14O7 ChemAxon inchi InChI=1S/C17H14O7/c1-20-13-4-11-8(2-10(13)18)16-17(19,6-21-11)9-3-14-15(23-7-22-14)5-12(9)24-16/h2-5,16,18-19H,6-7H2,1H3 ChemAxon inchikey PAURLKLZDUKKLK-UHFFFAOYSA-N ChemAxon polar_surface_area 86.61 ChemAxon refractivity 79.92 ChemAxon polarizability 32.07 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 50862 Specdb::MsMs 50863 Specdb::MsMs 50864 Specdb::MsMs 126633 Specdb::MsMs 126634 Specdb::MsMs 126635 Specdb::CMs 78486 Common pea Type 1 specific Pisum sativum 3888