1.0 2010-04-08 22:10:00 UTC 2019-11-26 03:06:15 UTC FDB012133 Xanthoxyletin Isolated from Zanthoxylum americanum (prickly ash). Xanthoxyletin is found in lemon, sweet orange, and herbs and spices. 5-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one,9CI 5-Methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one Xanthoxylin N Xanthoxyloin C15H14O4 258.2693 258.089208936 5-methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one xanthoxyletin 84-99-1 COC1=C2C=CC(=O)OC2=CC2=C1C=CC(C)(C)O2 InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3 JSJIIHRNDMLJGK-UHFFFAOYSA-N belongs to the class of organic compounds known as linear pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety. Linear pyranocoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Pyranocoumarins Aromatic heteropolycyclic compounds 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives 1-benzopyran 2,2-dimethyl-1-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Ether Heteroaromatic compound Hydrocarbon derivative Lactone Linear pyranocoumarin Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone coumarins logp 3.05 ALOGPS logs -4.10 ALOGPS solubility 2.04e-02 g/l ALOGPS melting_point Mp 133° logp 2.53 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 5-methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one ChemAxon average_mass 258.2693 ChemAxon mono_mass 258.089208936 ChemAxon smiles COC1=C2C=CC(=O)OC2=CC2=C1C=CC(C)(C)O2 ChemAxon formula C15H14O4 ChemAxon inchi InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3 ChemAxon inchikey JSJIIHRNDMLJGK-UHFFFAOYSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 72.41 ChemAxon polarizability 26.9 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17305 Specdb::CMs 162837 Specdb::MsMs 63192 Specdb::MsMs 63193 Specdb::MsMs 63194 Specdb::MsMs 120108 Specdb::MsMs 120109 Specdb::MsMs 120110 Specdb::MsMs 374655 Specdb::MsMs 451288 Specdb::MsMs 452190 Specdb::MsMs 2782504 Specdb::MsMs 2782505 Specdb::MsMs 2782506 Specdb::MsMs 2925892 Specdb::MsMs 2925893 Specdb::MsMs 2925894 HMDB33931 #<Reference:0x000055ce323a2158> Herbs and Spices Unknown generic Lemon Type 1 specific Citrus limon 2708 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 Sweet orange Type 1 specific Citrus sinensis 2711 2400.0 2400.0 2400.0 mg/100 g Anti convulsant 204 Any substance introduced into a living organism with therapeutic or diagnostic purpose.