1.0 2010-04-08 22:15:30 UTC 2019-11-26 03:19:58 UTC FDB021159 1-Hydroxy-3,5-dimethoxy-2-prenylxanthone Constituent of Garcinia mangostana (mangosteen). 1-Hydroxy-3,5-dimethoxy-2-prenylxanthone is found in fruits. 1-Hydroxy-3,5-dimethoxy-2-prenylxanthone C20H20O5 340.3698 340.13107375 1-hydroxy-3,5-dimethoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one 1-hydroxy-3,5-dimethoxy-2-(3-methylbut-2-en-1-yl)xanthen-9-one 35323-89-8 COC1=CC=CC2=C1OC1=C(C(O)=C(CC=C(C)C)C(OC)=C1)C2=O InChI=1S/C20H20O5/c1-11(2)8-9-12-15(24-4)10-16-17(18(12)21)19(22)13-6-5-7-14(23-3)20(13)25-16/h5-8,10,21H,9H2,1-4H3 ADQOAYRZNAECHD-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 2-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. 2-prenylated xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid 2-prenylated xanthone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 3.30 ALOGPS logs -4.46 ALOGPS solubility 1.18e-02 g/l ALOGPS melting_point Mp 168-169° logp 4.72 ChemAxon pka_strongest_acidic 9.34 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 1-hydroxy-3,5-dimethoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 340.3698 ChemAxon mono_mass 340.13107375 ChemAxon smiles COC1=CC=CC2=C1OC1=C(C(O)=C(CC=C(C)C)C(OC)=C1)C2=O ChemAxon formula C20H20O5 ChemAxon inchi InChI=1S/C20H20O5/c1-11(2)8-9-12-15(24-4)10-16-17(18(12)21)19(22)13-6-5-7-14(23-3)20(13)25-16/h5-8,10,21H,9H2,1-4H3 ChemAxon inchikey ADQOAYRZNAECHD-UHFFFAOYSA-N ChemAxon polar_surface_area 64.99 ChemAxon refractivity 95.97 ChemAxon polarizability 36.8 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22745 Specdb::CMs 47206 Specdb::CMs 166712 Specdb::MsMs 316507 Specdb::MsMs 316508 Specdb::MsMs 316509 Specdb::MsMs 362791 Specdb::MsMs 362792 Specdb::MsMs 362793 Specdb::MsMs 2271477 Specdb::MsMs 2271478 Specdb::MsMs 2271479 Specdb::MsMs 3067151 Specdb::MsMs 3067152 Specdb::MsMs 3067153 HMDB41251 #<Reference:0x000055ce31dab1a0> Fruits Unknown generic