1.0 2010-04-08 22:13:54 UTC 2019-11-26 03:16:36 UTC FDB018742 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside Isolated from Diospyros discolor (mabolo). 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside is found in fruits. 1-Methoxy-4-phenylpyridinium iodide 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucopyranoside Pyridinium, 1-methoxy-4-phenyl-, iodide Pyridinium, 1-methoxy-4-phenyl-, iodide (1:1) C22H22O12 478.4029 478.111126168 1,3,5-trihydroxy-6-methoxy-2-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione 1,3,5-trihydroxy-6-methoxy-2-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione 101508-15-0 COC1=C(O)C2=C(C(=O)C3=C(O)C(C)=C(O)C=C3C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C22H22O12/c1-6-8(24)3-7-12(15(6)25)19(29)13-9(4-10(32-2)17(27)14(13)16(7)26)33-22-21(31)20(30)18(28)11(5-23)34-22/h3-4,11,18,20-25,27-28,30-31H,5H2,1-2H3 VAYMARBXYQUXAO-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Hydroxyanthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Aryl ketones Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl ketone Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyanthraquinone Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid logp 0.64 ALOGPS logs -2.14 ALOGPS solubility 3.48e+00 g/l ALOGPS melting_point Mp 255-256° logp 1.09 ChemAxon pka_strongest_acidic 7.82 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3,5-trihydroxy-6-methoxy-2-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 478.4029 ChemAxon mono_mass 478.111126168 ChemAxon smiles COC1=C(O)C2=C(C(=O)C3=C(O)C(C)=C(O)C=C3C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1 ChemAxon formula C22H22O12 ChemAxon inchi InChI=1S/C22H22O12/c1-6-8(24)3-7-12(15(6)25)19(29)13-9(4-10(32-2)17(27)14(13)16(7)26)33-22-21(31)20(30)18(28)11(5-23)34-22/h3-4,11,18,20-25,27-28,30-31H,5H2,1-2H3 ChemAxon inchikey VAYMARBXYQUXAO-UHFFFAOYSA-N ChemAxon polar_surface_area 203.44 ChemAxon refractivity 112.72 ChemAxon polarizability 45.8 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18777 Specdb::CMs 46316 Specdb::CMs 165035 Specdb::MsMs 54729 Specdb::MsMs 54730 Specdb::MsMs 54731 Specdb::MsMs 130080 Specdb::MsMs 130081 Specdb::MsMs 130082 Specdb::MsMs 2457347 Specdb::MsMs 2457348 Specdb::MsMs 2457349 Specdb::MsMs 2481829 Specdb::MsMs 2481830 Specdb::MsMs 2481831 HMDB39211 #<Reference:0x000055ce330e4d98> Fruits Unknown generic