1.0 2010-04-08 22:09:24 UTC 2019-11-26 03:04:26 UTC FDB010987 2-Methoxyxanthone Constituent of Hypericum subspecies and Mammea americana (mamey). 2-Methoxyxanthone is found in herbs and spices and fruits. 2-methoxy-9H-xanthen-9-one 2-Methoxy-xanthen-9-one 2-Methoxyxanthen-9-one 2-Methoxyxanthone 9H-Xanthen-9-one, 2-methoxy- Xanthen-9-one, 2-methoxy- C14H10O3 226.2274 226.062994186 2-methoxy-9H-xanthen-9-one 2-methoxyxanthen-9-one 1214-20-6 COC1=CC2=C(OC3=CC=CC=C3C2=O)C=C1 InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3 DVZCOQQFPCMIPO-UHFFFAOYSA-N belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Xanthone logp 3.19 ALOGPS logs -4.01 ALOGPS solubility 2.23e-02 g/l ALOGPS melting_point Mp 134° (129°) logp 2.8 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-methoxy-9H-xanthen-9-one ChemAxon average_mass 226.2274 ChemAxon mono_mass 226.062994186 ChemAxon smiles COC1=CC2=C(OC3=CC=CC=C3C2=O)C=C1 ChemAxon formula C14H10O3 ChemAxon inchi InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3 ChemAxon inchikey DVZCOQQFPCMIPO-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 63.28 ChemAxon polarizability 23.45 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23289 Specdb::CMs 136172 Specdb::CMs 143906 Specdb::MsMs 68685 Specdb::MsMs 68686 Specdb::MsMs 68687 Specdb::MsMs 126777 Specdb::MsMs 126778 Specdb::MsMs 126779 Specdb::MsMs 449922 Specdb::MsMs 2779267 Specdb::MsMs 2779268 Specdb::MsMs 2779269 Specdb::MsMs 2902788 Specdb::MsMs 2902789 Specdb::MsMs 2902790 HMDB32998 #<Reference:0x000055ce2e980178> Fruits Unknown generic Herbs and Spices Unknown generic