1.0 2010-04-08 22:15:35 UTC 2019-11-26 03:20:07 UTC FDB021261 4-(1,1-Dimethyl-2-propenyl)-1,3,5,6-tetrahydroxy-7-prenylxanthone Constituent of the root bark of Rheedia brasiliensis (bakupari). 4-(1,1-Dimethyl-2-propenyl)-1,3,5,6-tetrahydroxy-7-prenylxanthone is found in herbs and spices and fruits. 4-(1,1-Dimethyl-2-propenyl)-1,3,5,6-tetrahydroxy-7-(3-methyl-2-butenyl)-9H-xanthen-9-one, 9CI C23H24O6 396.4331 396.1572885 1,3,5,6-tetrahydroxy-7-(3-methylbut-2-en-1-yl)-4-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one 1,3,5,6-tetrahydroxy-7-(3-methylbut-2-en-1-yl)-4-(2-methylbut-3-en-2-yl)xanthen-9-one 92609-73-9 CC(C)=CCC1=CC2=C(OC3=C(C(O)=CC(O)=C3C(C)(C)C=C)C2=O)C(O)=C1O InChI=1S/C23H24O6/c1-6-23(4,5)17-15(25)10-14(24)16-19(27)13-9-12(8-7-11(2)3)18(26)20(28)21(13)29-22(16)17/h6-7,9-10,24-26,28H,1,8H2,2-5H3 BPIPRLPHPUGIIF-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-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-prenylated xanthone Aromatic heteropolycyclic compound Benzenoid Chromone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Vinylogous acid logp 4.26 ALOGPS logs -3.86 ALOGPS solubility 5.45e-02 g/l ALOGPS melting_point Mp 173-174° logp 5.81 ChemAxon pka_strongest_acidic 7.08 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1,3,5,6-tetrahydroxy-7-(3-methylbut-2-en-1-yl)-4-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one ChemAxon average_mass 396.4331 ChemAxon mono_mass 396.1572885 ChemAxon smiles CC(C)=CCC1=CC2=C(OC3=C(C(O)=CC(O)=C3C(C)(C)C=C)C2=O)C(O)=C1O ChemAxon formula C23H24O6 ChemAxon inchi InChI=1S/C23H24O6/c1-6-23(4,5)17-15(25)10-14(24)16-19(27)13-9-12(8-7-11(2)3)18(26)20(28)21(13)29-22(16)17/h6-7,9-10,24-26,28H,1,8H2,2-5H3 ChemAxon inchikey BPIPRLPHPUGIIF-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 112.29 ChemAxon polarizability 42.79 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13499 Specdb::CMs 47265 Specdb::CMs 134977 Specdb::CMs 142711 Specdb::MsMs 12533 Specdb::MsMs 12534 Specdb::MsMs 12535 Specdb::MsMs 19205 Specdb::MsMs 19206 Specdb::MsMs 19207 Specdb::MsMs 2733360 Specdb::MsMs 2733361 Specdb::MsMs 2733362 Specdb::MsMs 2972997 Specdb::MsMs 2972998 Specdb::MsMs 2972999 HMDB41338 #<Reference:0x000055ce33101fd8> Fruits Unknown generic Herbs and Spices Unknown generic