1.0 2010-04-08 22:13:46 UTC 2025-11-19 02:12:03 UTC FDB018534 Smyrindioloside Constituent of Angelica archangelica (angelica). Smyrindioloside is found in fats and oils, herbs and spices, and green vegetables. Smyrindioloside C20H24O10 424.3986 424.136946988 3-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 3-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 87592-77-6 CC(C)(OC1OC(CO)C(O)C(O)C1O)C1OC2=C(C=C3C=CC(=O)OC3=C2)C1O InChI=1S/C20H24O10/c1-20(2,30-19-17(26)16(25)15(24)12(7-21)29-19)18-14(23)9-5-8-3-4-13(22)27-10(8)6-11(9)28-18/h3-6,12,14-19,21,23-26H,7H2,1-2H3 KLPNFWKZLQAVTH-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 Acetals Alkyl aryl ethers Benzenoids 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 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 -0.35 ALOGPS logs -2.04 ALOGPS solubility 3.89e+00 g/l ALOGPS melting_point Mp 267-269° logp -0.96 ChemAxon pka_strongest_acidic 12.16 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-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)C1OC2=C(C=C3C=CC(=O)OC3=C2)C1O ChemAxon formula C20H24O10 ChemAxon inchi InChI=1S/C20H24O10/c1-20(2,30-19-17(26)16(25)15(24)12(7-21)29-19)18-14(23)9-5-8-3-4-13(22)27-10(8)6-11(9)28-18/h3-6,12,14-19,21,23-26H,7H2,1-2H3 ChemAxon inchikey KLPNFWKZLQAVTH-UHFFFAOYSA-N ChemAxon polar_surface_area 155.14 ChemAxon refractivity 99.96 ChemAxon polarizability 41.99 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24690 Specdb::CMs 46223 Specdb::CMs 164125 Specdb::MsMs 83796 Specdb::MsMs 83797 Specdb::MsMs 83798 Specdb::MsMs 145482 Specdb::MsMs 145483 Specdb::MsMs 145484 Specdb::MsMs 2825602 Specdb::MsMs 2825603 Specdb::MsMs 2825604 Specdb::MsMs 2856573 Specdb::MsMs 2856574 Specdb::MsMs 2856575 Specdb::NmrOneD 30782 Specdb::NmrOneD 30783 Specdb::NmrOneD 30784 Specdb::NmrOneD 30785 Specdb::NmrOneD 30786 Specdb::NmrOneD 30787 Specdb::NmrOneD 30788 Specdb::NmrOneD 30789 Specdb::NmrOneD 30790 Specdb::NmrOneD 30791 Specdb::NmrOneD 30792 Specdb::NmrOneD 30793 Specdb::NmrOneD 30794 Specdb::NmrOneD 30795 Specdb::NmrOneD 30796 Specdb::NmrOneD 30797 Specdb::NmrOneD 30798 Specdb::NmrOneD 30799 Specdb::NmrOneD 30800 Specdb::NmrOneD 30801 HMDB39037 #<Reference:0x000055ce305d8ac8> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic