1.0 2019-09-16 21:24:15 UTC 2019-11-26 03:24:13 UTC FDB093581 10,14-Dihydroxy-11-methoxy-3,3-dimethyl-12-(3-methyl-2-butenyl)-[1]benzopyrano[5,6-b]xanthen-13(3H)-one C28H26O6 458.51 458.172938557 2,18-dihydroxy-19-methoxy-7,7-dimethyl-20-(3-methylbut-2-en-1-yl)-8,15-dioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,10,13,16,18,20-nonaen-22-one 2,18-dihydroxy-19-methoxy-7,7-dimethyl-20-(3-methylbut-2-en-1-yl)-8,15-dioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,10,13,16,18,20-nonaen-22-one COC1=C(O)C=C2OC3=CC4=C(C(O)=C3C(=O)C2=C1CC=C(C)C)C1=C(OC(C)(C)C=C1)C=C4 InChI=1S/C28H26O6/c1-14(2)6-8-17-23-21(13-18(29)27(17)32-5)33-20-12-15-7-9-19-16(10-11-28(3,4)34-19)22(15)25(30)24(20)26(23)31/h6-7,9-13,29-30H,8H2,1-5H3 LXYGNKDVOMJJTN-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 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Naphthols and derivatives Naphthopyranones Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-naphthol 2,2-dimethyl-1-benzopyran 8-prenylated xanthone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Naphthalene Naphthopyran Naphthopyranone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 5.63 ALOGPS logs -5.44 ALOGPS solubility 1.67e-03 g/l ALOGPS logp 6.46 ChemAxon pka_strongest_acidic 7.54 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2,18-dihydroxy-19-methoxy-7,7-dimethyl-20-(3-methylbut-2-en-1-yl)-8,15-dioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,10,13,16,18,20-nonaen-22-one ChemAxon average_mass 458.51 ChemAxon mono_mass 458.172938557 ChemAxon smiles COC1=C(O)C=C2OC3=CC4=C(C(O)=C3C(=O)C2=C1CC=C(C)C)C1=C(OC(C)(C)C=C1)C=C4 ChemAxon formula C28H26O6 ChemAxon inchi InChI=1S/C28H26O6/c1-14(2)6-8-17-23-21(13-18(29)27(17)32-5)33-20-12-15-7-9-19-16(10-11-28(3,4)34-19)22(15)25(30)24(20)26(23)31/h6-7,9-13,29-30H,8H2,1-5H3 ChemAxon inchikey LXYGNKDVOMJJTN-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 132.33 ChemAxon polarizability 50.72 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1255675 Specdb::MsMs 1255676 Specdb::MsMs 1255677 Specdb::MsMs 1370863 Specdb::MsMs 1370864 Specdb::MsMs 1370865 Specdb::MsMs 3609520 Specdb::MsMs 3609521 Specdb::MsMs 3609522 Specdb::MsMs 3609523 Specdb::MsMs 3609524 Specdb::MsMs 3609525 Mundu Type 1 Garcinia dulcis