1.0 2010-04-08 22:05:03 UTC 2025-11-18 22:32:23 UTC FDB001651 Anhydropisatin Anhydropisatin 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, anhydropisatin is considered to be a flavonoid lipid molecule. Anhydropisatin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Anhydropisatin can be found in common pea, which makes anhydropisatin a potential biomarker for the consumption of this food product. 6a,11a-Dehydropterocarpin Flemichapparin B C17H12O5 296.2742 296.068473494 16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2,4(8),9,13(18),14,16-heptaene anhydropisatin 3187-53-9 COC1=CC2=C(C=C1)C1=C(CO2)C2=CC3=C(OCO3)C=C2O1 InChI=1S/C17H12O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-6H,7-8H2,1H3 XWTCRKNSJARUIU-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 Acetals Alkyl aryl ethers Anisoles Benzodioxoles Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Oxacyclic compounds 1-benzopyran Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzofuran Benzopyran Ether Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan Pterocarpans logp 3.24 ALOGPS logs -3.47 ALOGPS solubility 1.01e-01 g/l ALOGPS logp 2.76 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2,4(8),9,13(18),14,16-heptaene ChemAxon average_mass 296.2742 ChemAxon mono_mass 296.068473494 ChemAxon smiles COC1=CC2=C(C=C1)C1=C(CO2)C2=CC3=C(OCO3)C=C2O1 ChemAxon formula C17H12O5 ChemAxon inchi InChI=1S/C17H12O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-6H,7-8H2,1H3 ChemAxon inchikey XWTCRKNSJARUIU-UHFFFAOYSA-N ChemAxon polar_surface_area 50.06 ChemAxon refractivity 77.16 ChemAxon polarizability 31.14 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 53862 Specdb::MsMs 53863 Specdb::MsMs 53864 Specdb::MsMs 177861 Specdb::MsMs 177862 Specdb::MsMs 177863 Specdb::MsMs 3597983 Specdb::MsMs 3597984 Specdb::MsMs 3597985 Specdb::MsMs 3597986 Specdb::MsMs 3597987 Specdb::MsMs 3597988 Common pea Type 1 specific Pisum sativum 3888