1.0 2010-04-08 22:05:27 UTC 2020-02-24 19:10:34 UTC FDB002621 Gartanin Constituent of the fruits of Garcinia mangostana (mangosteen). Gartanin is found in fruits and purple mangosteen. 1,3,5,8-Tetrahydroxy-2,4-bis(3-methyl-2-butenyl)-9H-xanthen-9-one, 9CI 1,3,5,8-Tetrahydroxy-2,4-diprenylxanthone Gartanin Gartinin C23H24O6 396.4331 396.1572885 1,3,5,8-tetrahydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one gartanin 33390-42-0 CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC3=C(O)C=CC(O)=C3C(=O)C2=C1O InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3 OJXQLGQIDIPMTE-UHFFFAOYSA-N belongs to the class of organic compounds known as 4-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 4-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. 4-prenylated xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2-prenylated xanthones Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 2-prenylated xanthone 4-prenylated xanthone Aromatic heteropolycyclic compound Benzenoid Chromone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Vinylogous acid polyphenol xanthenes xanthones logp 4.07 ALOGPS logs -4.59 ALOGPS solubility 1.02e-02 g/l ALOGPS melting_point Mp 167° logp 6.5 ChemAxon pka_strongest_acidic 7.12 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 1,3,5,8-tetrahydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 396.4331 ChemAxon mono_mass 396.1572885 ChemAxon smiles CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC3=C(O)C=CC(O)=C3C(=O)C2=C1O ChemAxon formula C23H24O6 ChemAxon inchi InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3 ChemAxon inchikey OJXQLGQIDIPMTE-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 113.23 ChemAxon polarizability 43.06 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13598 Specdb::CMs 42099 Specdb::CMs 132388 Specdb::CMs 140122 Specdb::MsMs 13028 Specdb::MsMs 13029 Specdb::MsMs 13030 Specdb::MsMs 19700 Specdb::MsMs 19701 Specdb::MsMs 19702 Specdb::MsMs 2660425 Specdb::MsMs 2660426 Specdb::MsMs 2660427 Specdb::MsMs 3018666 Specdb::MsMs 3018667 Specdb::MsMs 3018668 HMDB30700 #<Reference:0x000055ce32f9aeb0> Fruits Unknown generic Purple mangosteen Type 1 specific Garcinia mangostana 58228