1.0 2010-04-08 22:06:02 UTC 2025-11-18 22:54:39 UTC FDB004005 Xanthoxotin Xanthoxotin is a member of the class of compounds known as acridones. Acridones are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. Xanthoxotin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoxotin can be found in wild celery, which makes xanthoxotin a potential biomarker for the consumption of this food product. C15H13NO4 271.272 271.084457903 1-hydroxy-2,3-dimethoxy-9,10-dihydroacridin-9-one 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one COC1=CC2=C(C(O)=C1OC)C(=O)C1=CC=CC=C1N2 InChI=1S/C15H13NO4/c1-19-11-7-10-12(14(18)15(11)20-2)13(17)8-5-3-4-6-9(8)16-10/h3-7,18H,1-2H3,(H,16,17) CYPILPIHKOUTNO-UHFFFAOYSA-N belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. Acridones Organic compounds Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Aromatic heteropolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Organic oxides Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives Vinylogous acids Vinylogous amides 1-hydroxy-4-unsubstituted benzenoid Acridone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Dihydroquinoline Dihydroquinolone Ether Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Vinylogous acid Vinylogous amide logp 3.25 ALOGPS logs -3.05 ALOGPS solubility 2.40e-01 g/l ALOGPS logp 4.23 ChemAxon pka_strongest_acidic 9.42 ChemAxon pka_strongest_basic -2 ChemAxon iupac 1-hydroxy-2,3-dimethoxy-9,10-dihydroacridin-9-one ChemAxon average_mass 271.272 ChemAxon mono_mass 271.084457903 ChemAxon smiles COC1=CC2=C(C(O)=C1OC)C(=O)C1=CC=CC=C1N2 ChemAxon formula C15H13NO4 ChemAxon inchi InChI=1S/C15H13NO4/c1-19-11-7-10-12(14(18)15(11)20-2)13(17)8-5-3-4-6-9(8)16-10/h3-7,18H,1-2H3,(H,16,17) ChemAxon inchikey CYPILPIHKOUTNO-UHFFFAOYSA-N ChemAxon polar_surface_area 67.79 ChemAxon refractivity 73.97 ChemAxon polarizability 27.81 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72714 Specdb::MsMs 72715 Specdb::MsMs 72716 Specdb::MsMs 131700 Specdb::MsMs 131701 Specdb::MsMs 131702 Specdb::MsMs 3599771 Specdb::MsMs 3599772 Specdb::MsMs 3599773 Specdb::MsMs 3599774 Specdb::MsMs 3599775 Specdb::MsMs 3599776 Wild celery Type 1 specific Apium graveolens 4045