1.0 2019-09-16 21:24:10 UTC 2019-11-26 03:24:13 UTC FDB093579 Cowagarcinone D C28H30O6 462.542 462.204238686 6,8,12-trihydroxy-2-methyl-7-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2,5-dihydro-1,10-dioxatetraphen-5-one 6,8,12-trihydroxy-2-methyl-7-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-1,10-dioxatetraphen-5-one CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(OC3=CC(O)=C(CC=C(C)C)C(O)=C3C1=O)C=C2O InChI=1S/C28H30O6/c1-15(2)7-6-11-28(5)12-10-18-23-21(14-20(30)27(18)34-28)33-22-13-19(29)17(9-8-16(3)4)25(31)24(22)26(23)32/h7-8,10,12-14,29-31H,6,9,11H2,1-5H3 QAHKVGNDCXMIJR-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 Alkyl aryl ethers Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Pyranoxanthones Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-prenylated xanthone Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phenol Polyol Pyran Pyranone Pyranoxanthone Vinylogous acid logp 5.35 ALOGPS logs -5.13 ALOGPS solubility 3.45e-03 g/l ALOGPS logp 7.07 ChemAxon pka_strongest_acidic 7.24 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6,8,12-trihydroxy-2-methyl-7-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2,5-dihydro-1,10-dioxatetraphen-5-one ChemAxon average_mass 462.542 ChemAxon mono_mass 462.204238686 ChemAxon smiles CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(OC3=CC(O)=C(CC=C(C)C)C(O)=C3C1=O)C=C2O ChemAxon formula C28H30O6 ChemAxon inchi InChI=1S/C28H30O6/c1-15(2)7-6-11-28(5)12-10-18-23-21(14-20(30)27(18)34-28)33-22-13-19(29)17(9-8-16(3)4)25(31)24(22)26(23)32/h7-8,10,12-14,29-31H,6,9,11H2,1-5H3 ChemAxon inchikey QAHKVGNDCXMIJR-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 135.12 ChemAxon polarizability 51.63 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1264351 Specdb::MsMs 1264352 Specdb::MsMs 1264353 Specdb::MsMs 1379431 Specdb::MsMs 1379432 Specdb::MsMs 1379433 Specdb::MsMs 3609508 Specdb::MsMs 3609509 Specdb::MsMs 3609510 Specdb::MsMs 3609511 Specdb::MsMs 3609512 Specdb::MsMs 3609513 Mundu Type 1 Garcinia dulcis