1.0 2010-04-08 22:13:47 UTC 2019-11-26 03:16:18 UTC FDB018544 9-Hydroxy-4-methoxypsoralen 9-glucoside Constituent of Apium graveolens. 9-Hydroxy-4-methoxypsoralen 9-glucoside is found in wild celery and green vegetables. 5-Methoxy-8-O-beta-D-glucosyloxy-psoralen 9-Hydroxy-4-methoxypsoralen 9-glucoside 9-Hydroxy-4-methoxypsoralen 9-O-b-D-glucopyranoside 9-Hydroxy-4-methoxypsoralen 9-O-b-D-glucoside C18H18O10 394.3295 394.089996796 4-methoxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7H-furo[3,2-g]chromen-7-one 4-methoxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one 115356-06-4 COC1=C2C=CC(=O)OC2=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C=CO2 InChI=1S/C18H18O10/c1-24-14-7-2-3-10(20)27-16(7)17(15-8(14)4-5-25-15)28-18-13(23)12(22)11(21)9(6-19)26-18/h2-5,9,11-13,18-19,21-23H,6H2,1H3 BPZBSASYSWKXFS-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 5-methoxypsoralens Acetals Alkyl aryl ethers Anisoles Benzofurans Furans Heteroaromatic compounds Hexoses Hydrocarbon derivatives Lactones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols 1-benzopyran 5-methoxypsoralen Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Coumarin o-glycoside Coumarin-8-o-glycoside Ether Furan Furanocoumarin Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Lactone Linear furanocoumarin Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Psoralen Pyran Pyranone Secondary alcohol logp 0.04 ALOGPS logs -1.90 ALOGPS solubility 4.96e+00 g/l ALOGPS melting_point Mp 230° logp -0.79 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-methoxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 394.3295 ChemAxon mono_mass 394.089996796 ChemAxon smiles COC1=C2C=CC(=O)OC2=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C=CO2 ChemAxon formula C18H18O10 ChemAxon inchi InChI=1S/C18H18O10/c1-24-14-7-2-3-10(20)27-16(7)17(15-8(14)4-5-25-15)28-18-13(23)12(22)11(21)9(6-19)26-18/h2-5,9,11-13,18-19,21-23H,6H2,1H3 ChemAxon inchikey BPZBSASYSWKXFS-UHFFFAOYSA-N ChemAxon polar_surface_area 148.05 ChemAxon refractivity 90.98 ChemAxon polarizability 36.96 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21333 Specdb::CMs 46228 Specdb::CMs 150963 Specdb::MsMs 60609 Specdb::MsMs 60610 Specdb::MsMs 60611 Specdb::MsMs 116964 Specdb::MsMs 116965 Specdb::MsMs 116966 Specdb::MsMs 2433430 Specdb::MsMs 2433431 Specdb::MsMs 2433432 Specdb::MsMs 2504753 Specdb::MsMs 2504754 Specdb::MsMs 2504755 Specdb::NmrOneD 30842 Specdb::NmrOneD 30843 Specdb::NmrOneD 30844 Specdb::NmrOneD 30845 Specdb::NmrOneD 30846 Specdb::NmrOneD 30847 Specdb::NmrOneD 30848 Specdb::NmrOneD 30849 Specdb::NmrOneD 30850 Specdb::NmrOneD 30851 Specdb::NmrOneD 30852 Specdb::NmrOneD 30853 Specdb::NmrOneD 30854 Specdb::NmrOneD 30855 Specdb::NmrOneD 30856 Specdb::NmrOneD 30857 Specdb::NmrOneD 30858 Specdb::NmrOneD 30859 Specdb::NmrOneD 30860 Specdb::NmrOneD 30861 HMDB39047 #<Reference:0x000055ce31c2ea48> Green vegetables Unknown generic Wild celery Type 1 specific Apium graveolens 4045