1.0 2010-04-08 22:14:26 UTC 2019-11-26 03:17:38 UTC FDB019574 Mangostenol Constituent of the green fruit hulls of Garcinia mangostana (mangosteen). Mangostenol is found in fruits and purple mangosteen. Mangostenol C24H26O7 426.459 426.167853186 1,3,6-trihydroxy-2-(2-hydroxy-3-methylbut-3-en-1-yl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one 1,3,6-trihydroxy-2-(2-hydroxy-3-methylbut-3-en-1-yl)-7-methoxy-8-(3-methylbut-2-en-1-yl)xanthen-9-one 437711-43-8 COC1=C(O)C=C2OC3=C(C(O)=C(CC(O)C(C)=C)C(O)=C3)C(=O)C2=C1CC=C(C)C InChI=1S/C24H26O7/c1-11(2)6-7-13-20-18(10-17(27)24(13)30-5)31-19-9-16(26)14(8-15(25)12(3)4)22(28)21(19)23(20)29/h6,9-10,15,25-28H,3,7-8H2,1-2,4-5H3 ATOPEAUOJODWMN-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-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. 8-prenylated xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-prenylated xanthones Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-prenylated xanthone 8-prenylated xanthone Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 3.39 ALOGPS logs -4.17 ALOGPS solubility 2.89e-02 g/l ALOGPS melting_point Mp 157-159° logp 4.83 ChemAxon pka_strongest_acidic 7.5 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 1,3,6-trihydroxy-2-(2-hydroxy-3-methylbut-3-en-1-yl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 426.459 ChemAxon mono_mass 426.167853186 ChemAxon smiles COC1=C(O)C=C2OC3=C(C(O)=C(CC(O)C(C)=C)C(O)=C3)C(=O)C2=C1CC=C(C)C ChemAxon formula C24H26O7 ChemAxon inchi InChI=1S/C24H26O7/c1-11(2)6-7-13-20-18(10-17(27)24(13)30-5)31-19-9-16(26)14(8-15(25)12(3)4)22(28)21(19)23(20)29/h6,9-10,15,25-28H,3,7-8H2,1-2,4-5H3 ChemAxon inchikey ATOPEAUOJODWMN-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 118.15 ChemAxon polarizability 45.73 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14331 Specdb::CMs 46631 Specdb::MsMs 63273 Specdb::MsMs 63274 Specdb::MsMs 63275 Specdb::MsMs 120204 Specdb::MsMs 120205 Specdb::MsMs 120206 HMDB39912 #<Reference:0x000055ce33297e38> Fruits Unknown generic Purple mangosteen Type 1 specific Garcinia mangostana 58228