1.0 2010-04-08 22:14:21 UTC 2019-11-26 03:17:28 UTC FDB019423 5-Hydroxy-6-methoxycoumarin 7-glucoside Isolated from Prunus spinosa (sloe). 5-Hydroxy-6-methoxycoumarin 7-glucoside is found in alcoholic beverages, herbs and spices, and fruits. 5-Hydroxy-6-methoxycoumarin 7-glucoside 5,7-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one 7-O-b-D-glucopyranoside 7-Glucosyloxy-5-hydroxy-6-methoxycoumarin C16H18O10 370.3081 370.089996796 5-hydroxy-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one 5-hydroxy-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one 141238-32-6 COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(=O)C=CC2=C1O InChI=1S/C16H18O10/c1-23-15-8(4-7-6(11(15)19)2-3-10(18)24-7)25-16-14(22)13(21)12(20)9(5-17)26-16/h2-4,9,12-14,16-17,19-22H,5H2,1H3 PIBSIXYTETZFRB-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Coumarin glycosides Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Coumarin glycosides Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Heteroaromatic compounds Hexoses Hydrocarbon derivatives Hydroxycoumarins Lactones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin o-glycoside Coumarin-7-o-glycoside Ether Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxycoumarin Lactone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol logp -0.67 ALOGPS logs -1.71 ALOGPS solubility 7.21e+00 g/l ALOGPS melting_point Mp 135° logp -1.2 ChemAxon pka_strongest_acidic 8.07 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one ChemAxon average_mass 370.3081 ChemAxon mono_mass 370.089996796 ChemAxon smiles COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(=O)C=CC2=C1O ChemAxon formula C16H18O10 ChemAxon inchi InChI=1S/C16H18O10/c1-23-15-8(4-7-6(11(15)19)2-3-10(18)24-7)25-16-14(22)13(21)12(20)9(5-17)26-16/h2-4,9,12-14,16-17,19-22H,5H2,1H3 ChemAxon inchikey PIBSIXYTETZFRB-UHFFFAOYSA-N ChemAxon polar_surface_area 155.14 ChemAxon refractivity 84.12 ChemAxon polarizability 34.5 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24010 Specdb::CMs 46566 Specdb::CMs 158960 Specdb::MsMs 52053 Specdb::MsMs 52054 Specdb::MsMs 52055 Specdb::MsMs 174570 Specdb::MsMs 174571 Specdb::MsMs 174572 Specdb::MsMs 2741341 Specdb::MsMs 2741342 Specdb::MsMs 2741343 Specdb::MsMs 2940524 Specdb::MsMs 2940525 Specdb::MsMs 2940526 Specdb::NmrOneD 35842 Specdb::NmrOneD 35843 Specdb::NmrOneD 35844 Specdb::NmrOneD 35845 Specdb::NmrOneD 35846 Specdb::NmrOneD 35847 Specdb::NmrOneD 35848 Specdb::NmrOneD 35849 Specdb::NmrOneD 35850 Specdb::NmrOneD 35851 Specdb::NmrOneD 35852 Specdb::NmrOneD 35853 Specdb::NmrOneD 35854 Specdb::NmrOneD 35855 Specdb::NmrOneD 35856 Specdb::NmrOneD 35857 Specdb::NmrOneD 35858 Specdb::NmrOneD 35859 Specdb::NmrOneD 35860 Specdb::NmrOneD 35861 HMDB39774 #<Reference:0x000055ce320a22f0> Alcoholic beverages Unknown generic Fruits Unknown generic Herbs and Spices Unknown generic