1.0 2010-04-08 22:04:59 UTC 2025-11-18 22:31:44 UTC FDB001508 Alloimperatorin Alloimperatorin is a member of the class of compounds known as 8-hydroxypsoralens. 8-hydroxypsoralens are psoralens containing a hydroxyl group attached at the C8 position of the psoralen group. Alloimperatorin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Alloimperatorin can be found in corn, which makes alloimperatorin a potential biomarker for the consumption of this food product. Alloimperatorine Prangenidin C16H14O4 270.28 270.089208936 9-hydroxy-4-(3-methylbut-2-en-1-yl)-7H-furo[3,2-g]chromen-7-one alloimperatorin 642-05-7 CC(C)=CCC1=C2C=COC2=C(O)C2=C1C=CC(=O)O2 InChI=1S/C16H14O4/c1-9(2)3-4-10-11-5-6-13(17)20-16(11)14(18)15-12(10)7-8-19-15/h3,5-8,18H,4H2,1-2H3 KDXVVZMYSLWJMA-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-hydroxypsoralens. These are psoralens containing a hydroxyl group attached at the C8 position of the psoralen group. 8-hydroxypsoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Benzenoids Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran 8-hydroxypsoralen Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Furanocoumarins psoralens logp 3.83 ALOGPS logs -3.63 ALOGPS solubility 6.38e-02 g/l ALOGPS logp 4.02 ChemAxon pka_strongest_acidic 8.17 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 9-hydroxy-4-(3-methylbut-2-en-1-yl)-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 270.28 ChemAxon mono_mass 270.089208936 ChemAxon smiles CC(C)=CCC1=C2C=COC2=C(O)C2=C1C=CC(=O)O2 ChemAxon formula C16H14O4 ChemAxon inchi InChI=1S/C16H14O4/c1-9(2)3-4-10-11-5-6-13(17)20-16(11)14(18)15-12(10)7-8-19-15/h3,5-8,18H,4H2,1-2H3 ChemAxon inchikey KDXVVZMYSLWJMA-UHFFFAOYSA-N ChemAxon polar_surface_area 59.67 ChemAxon refractivity 76.61 ChemAxon polarizability 27.76 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61488 Specdb::MsMs 61489 Specdb::MsMs 61490 Specdb::MsMs 118032 Specdb::MsMs 118033 Specdb::MsMs 118034 Specdb::MsMs 3597625 Specdb::MsMs 3597626 Specdb::MsMs 3597627 Specdb::MsMs 3597628 Specdb::MsMs 3597629 Specdb::MsMs 3597630 Corn Type 1 specific Zea mays 4577