1.0 2010-04-08 22:06:28 UTC 2019-11-26 03:00:19 UTC FDB004979 Oxypeucedanin hydrate Oxypeucedanin hydrate, also known as aviprin, is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Oxypeucedanin hydrate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Oxypeucedanin hydrate can be found in lemon, lime, and parsley, which makes oxypeucedanin hydrate a potential biomarker for the consumption of these food products. 4-(2,3-Dihydroxy-3-methyl-butoxy)-furo[3,2-g]chromen-7-one 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one Oxypeucedanin hydrate Prangolarin hydrate C16H16O6 304.2946 304.094688244 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-7H-furo[3,2-g]chromen-7-one 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one CC(C)(O)[C@H](O)COC1=C2C=COC2=CC2=C1C=CC(=O)O2 InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m1/s1 PEWFWDOPJISUOK-CYBMUJFWSA-N belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Psoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1,2-diols 1-benzopyrans Alkyl aryl ethers Benzenoids Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Secondary alcohols Tertiary alcohols 1,2-diol 1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Ether Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Psoralen Pyran Pyranone Secondary alcohol Tertiary alcohol furanocoumarin logp 1.78 ALOGPS logs -3.01 ALOGPS solubility 2.96e-01 g/l ALOGPS logp 1.16 ChemAxon pka_strongest_acidic 13.2 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 304.2946 ChemAxon mono_mass 304.094688244 ChemAxon smiles CC(C)(O)[C@H](O)COC1=C2C=COC2=CC2=C1C=CC(=O)O2 ChemAxon formula C16H16O6 ChemAxon inchi InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m1/s1 ChemAxon inchikey PEWFWDOPJISUOK-CYBMUJFWSA-N ChemAxon polar_surface_area 89.13 ChemAxon refractivity 78.16 ChemAxon polarizability 30.37 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62751 Specdb::MsMs 62752 Specdb::MsMs 62753 Specdb::MsMs 119547 Specdb::MsMs 119548 Specdb::MsMs 119549 Lemon Type 1 specific Citrus limon 2708 6.4 6.4 6.4 mg/100 g Lime Type 1 specific Citrus aurantiifolia 159033 Parsley Type 1 specific Petroselinum crispum 4043 anti histaminic 331 Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. calcium antagonist 748 Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.