1.0 2010-04-08 22:04:38 UTC 2020-02-24 19:10:09 UTC FDB000578 Xanthotoxol Isolated from Aegle marmelos (bael fruit), Angelica archangelica (angelica) and the seeds of Pastinaca sativa (parsnip). Xanthotoxol is found in many foods, some of which are fats and oils, green vegetables, herbs and spices, and fig. 5-Benzofuranacrylic acid, 6,7-dihydroxy-, gamma-lactone 6,7-Dihydroxy-5-benzofuranacrylic acid gamma-lactone 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy- 7H-Furo[3,2-g][1]benzopyran-7-one, 9-hydroxy- 8-Hydroxy-psoralen 8-Hydroxyanthotoxol 8-Hydroxyfuranocoumarin 8-hydroxyfuranocoumarins 8-hydroxyfurocoumarin 8-hydroxyfurocoumarins 8-Hydroxypsoralen 8-Hydroxypsoralene 9-Hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one 9-Hydroxy-7H-furo[3,2-g][1]benzopyran-7-one 9-Hydroxy-7H-furo[3,2-g][1]benzopyran-7-one, 9CI 9-hydroxy-7H-furo[3,2-g]chromen-7-one an 8-hydroxyfurocoumarin Psoralen, 8-hydroxy- Xanthotoxol (6CI) C11H6O4 202.165 202.026608673 9-hydroxy-7H-furo[3,2-g]chromen-7-one xanthotoxol 2009-24-7 [H]OC1=C2OC(=O)C([H])=C([H])C2=C([H])C2=C1OC([H])=C2[H] InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H JWVYQQGERKEAHW-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 1-hydroxy-4-unsubstituted benzenoids Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid 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 8-hydroxyfurocoumarin Furanocoumarins an 8-hydroxyfurocoumarin logp 1.90 ALOGPS logs -2.42 ALOGPS solubility 7.77e-01 g/l ALOGPS melting_point Mp 251-252° logp 2.29 ChemAxon pka_strongest_acidic 8.19 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 9-hydroxy-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 202.165 ChemAxon mono_mass 202.026608673 ChemAxon smiles [H]OC1=C2OC(=O)C([H])=C([H])C2=C([H])C2=C1OC([H])=C2[H] ChemAxon formula C11H6O4 ChemAxon inchi InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H ChemAxon inchikey JWVYQQGERKEAHW-UHFFFAOYSA-N ChemAxon polar_surface_area 59.67 ChemAxon refractivity 52.37 ChemAxon polarizability 19.01 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3450 Specdb::MsIr 3451 Specdb::MsIr 3452 Specdb::CMs 5883 Specdb::CMs 41373 Specdb::CMs 153398 Specdb::MsMs 62700 Specdb::MsMs 62701 Specdb::MsMs 62702 Specdb::MsMs 119481 Specdb::MsMs 119482 Specdb::MsMs 119483 Specdb::MsMs 2282869 Specdb::MsMs 2282870 Specdb::MsMs 2282871 Specdb::MsMs 3085342 Specdb::MsMs 3085343 Specdb::MsMs 3085344 HMDB29457 15709 #<Reference:0x000055ac411b1c58> Fats and oils Unknown generic Fig Type 1 specific Ficus carica 3494 Fruits Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic Parsley Type 1 specific Petroselinum crispum 4043 Parsnip Type 1 specific Pastinaca sativa 4041 Root vegetables Unknown generic 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. anti mitotic 441 anti nicotinic 479 Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons. cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. cytotoxic 859 A role played by the molecular entity or part thereof which causes the development of a pathological process.