1.0 2010-04-08 22:04:39 UTC 2020-02-24 19:10:11 UTC FDB000646 Garcinone C From Garcinia mangostana (mangosteen). Garcinone C is found in fruits and purple mangosteen. Garcinone C C23H26O7 414.4483 414.167853186 1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one 1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)xanthen-9-one 76996-27-5 CC(C)=CCC1=C(O)C2=C(OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C2=O)C=C1O InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3 HLOCLVMUASBDDP-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 Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Tertiary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-prenylated xanthone 8-prenylated xanthone Alcohol Aromatic heteropolycyclic compound Benzenoid Chromone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Tertiary alcohol Vinylogous acid logp 3.21 ALOGPS logs -4.42 ALOGPS solubility 1.59e-02 g/l ALOGPS melting_point Mp 216-218° logp 4.79 ChemAxon pka_strongest_acidic 7.23 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 414.4483 ChemAxon mono_mass 414.167853186 ChemAxon smiles CC(C)=CCC1=C(O)C2=C(OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C2=O)C=C1O ChemAxon formula C23H26O7 ChemAxon inchi InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3 ChemAxon inchikey HLOCLVMUASBDDP-UHFFFAOYSA-N ChemAxon polar_surface_area 127.45 ChemAxon refractivity 114.21 ChemAxon polarizability 44.47 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17131 Specdb::CMs 41417 Specdb::CMs 156778 Specdb::MsMs 69297 Specdb::MsMs 69298 Specdb::MsMs 69299 Specdb::MsMs 127545 Specdb::MsMs 127546 Specdb::MsMs 127547 Specdb::MsMs 2271057 Specdb::MsMs 2271058 Specdb::MsMs 2271059 Specdb::MsMs 3068467 Specdb::MsMs 3068468 Specdb::MsMs 3068469 HMDB29511 #<Reference:0x000055ce30e7c8c8> Fruits Unknown generic Purple mangosteen Type 1 specific Garcinia mangostana 58228