1.0 2010-04-08 22:13:46 UTC 2019-11-26 03:16:16 UTC FDB018524 Celereoside Constituent of Apium graveolens. Celereoside is found in wild celery and green vegetables. Celereoside Celeroside C20H24O10 424.3986 424.136946988 4-hydroxy-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one 4-hydroxy-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2H,3H-furo[3,2-g]chromen-7-one 74608-59-6 CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC2=C(O1)C=C1OC(=O)C=CC1=C2O InChI=1S/C20H24O10/c1-20(2,30-19-18(26)17(25)16(24)12(7-21)29-19)13-5-9-11(27-13)6-10-8(15(9)23)3-4-14(22)28-10/h3-4,6,12-13,16-19,21,23-26H,5,7H2,1-2H3 JMWIRXQFQXREAB-UHFFFAOYSA-N belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Psoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Coumarans Heteroaromatic compounds Hexoses Hydrocarbon derivatives Lactones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumaran Ether Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Lactone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Psoralen Pyran Pyranone Secondary alcohol logp 0.02 ALOGPS logs -2.28 ALOGPS solubility 2.25e+00 g/l ALOGPS melting_point Mp 200-201° logp -0.34 ChemAxon pka_strongest_acidic 7.74 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-hydroxy-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 424.3986 ChemAxon mono_mass 424.136946988 ChemAxon smiles CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC2=C(O1)C=C1OC(=O)C=CC1=C2O ChemAxon formula C20H24O10 ChemAxon inchi InChI=1S/C20H24O10/c1-20(2,30-19-18(26)17(25)16(24)12(7-21)29-19)13-5-9-11(27-13)6-10-8(15(9)23)3-4-14(22)28-10/h3-4,6,12-13,16-19,21,23-26H,5,7H2,1-2H3 ChemAxon inchikey JMWIRXQFQXREAB-UHFFFAOYSA-N ChemAxon polar_surface_area 155.14 ChemAxon refractivity 100.74 ChemAxon polarizability 41.95 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20813 Specdb::CMs 46214 Specdb::CMs 152050 Specdb::MsMs 45342 Specdb::MsMs 45343 Specdb::MsMs 45344 Specdb::MsMs 143139 Specdb::MsMs 143140 Specdb::MsMs 143141 Specdb::MsMs 2394349 Specdb::MsMs 2394350 Specdb::MsMs 2394351 Specdb::MsMs 2571710 Specdb::MsMs 2571711 Specdb::MsMs 2571712 Specdb::NmrOneD 30762 Specdb::NmrOneD 30763 Specdb::NmrOneD 30764 Specdb::NmrOneD 30765 Specdb::NmrOneD 30766 Specdb::NmrOneD 30767 Specdb::NmrOneD 30768 Specdb::NmrOneD 30769 Specdb::NmrOneD 30770 Specdb::NmrOneD 30771 Specdb::NmrOneD 30772 Specdb::NmrOneD 30773 Specdb::NmrOneD 30774 Specdb::NmrOneD 30775 Specdb::NmrOneD 30776 Specdb::NmrOneD 30777 Specdb::NmrOneD 30778 Specdb::NmrOneD 30779 Specdb::NmrOneD 30780 Specdb::NmrOneD 30781 HMDB39028 #<Reference:0x000055ce31ec15f8> Green vegetables Unknown generic Wild celery Type 1 specific Apium graveolens 4045