1.0 2010-04-08 22:04:54 UTC 2020-02-24 19:10:22 UTC FDB001268 1-Isomangostin Constituent of Garcinia mangostana (mangosteen). 1-Isomangostin is found in fruits and purple mangosteen. I-isomangostin C24H26O6 410.4596 410.172938564 5,9-dihydroxy-10-methoxy-2,2-dimethyl-11-(3-methylbut-2-en-1-yl)-2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-one 1-isomangostin 19275-44-6 COC1=C(CC=C(C)C)C2=C(OC3=C(C2=O)C2=C(CCC(C)(C)O2)C(O)=C3)C=C1O InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(11-16(26)22(14)28-5)29-18-10-15(25)13-8-9-24(3,4)30-23(13)20(18)21(19)27/h6,10-11,25-26H,7-9H2,1-5H3 JUHXHWKPHWGZKL-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 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Pyranoxanthones Vinylogous esters 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 8-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 Pyranoxanthone Vinylogous ester cyclic ether cyclic ketone organic heterotetracyclic compound phenols xanthenes logp 4.56 ALOGPS logs -4.77 ALOGPS solubility 6.93e-03 g/l ALOGPS melting_point Mp 245-249° logp 4.95 ChemAxon pka_strongest_acidic 7.53 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 5,9-dihydroxy-10-methoxy-2,2-dimethyl-11-(3-methylbut-2-en-1-yl)-2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-one ChemAxon average_mass 410.4596 ChemAxon mono_mass 410.172938564 ChemAxon smiles COC1=C(CC=C(C)C)C2=C(OC3=C(C2=O)C2=C(CCC(C)(C)O2)C(O)=C3)C=C1O ChemAxon formula C24H26O6 ChemAxon inchi InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(11-16(26)22(14)28-5)29-18-10-15(25)13-8-9-24(3,4)30-23(13)20(18)21(19)27/h6,10-11,25-26H,7-9H2,1-5H3 ChemAxon inchikey JUHXHWKPHWGZKL-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 114.91 ChemAxon polarizability 44.32 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12121 Specdb::CMs 41678 Specdb::CMs 169003 Specdb::MsMs 66384 Specdb::MsMs 66385 Specdb::MsMs 66386 Specdb::MsMs 123933 Specdb::MsMs 123934 Specdb::MsMs 123935 Specdb::MsMs 2452453 Specdb::MsMs 2452454 Specdb::MsMs 2452455 Specdb::MsMs 2483649 Specdb::MsMs 2483650 Specdb::MsMs 2483651 HMDB29981 #<Reference:0x000055ce321b3bd0> Fruits Unknown generic Purple mangosteen Type 1 specific Garcinia mangostana 58228