Compound: Fraxin
SMILES: O=c1oc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)c(O)c(OC)cc2cc1
InChIKey: CRSFLLTWRCYNNX-QBNNUVSCSA-N
Synonyms: Fraxin, 524-30-1, Fraxetin-8-O-glucoside, V7M270Y072, 2H-1-Benzopyran-2-one, 8-(beta-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-, CHEBI:5170, DTXSID30200410, RefChem:600391, 7,8-dihydroxy-6-methoxycoumarin-8-beta-D-glucoside, DTXCID30122901, 2H-1-Benzopyran-2-one,8-(beta-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-, 208-355-5, 7-hydroxy-6-methoxy-8-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-2-one, Fraxoside, FRAXINE, MFCD00010093, 8-(beta-D-Glucopyranosyloxy)-7-hydroxy-6-methoxy-2H-1-benzopyran-2-one, 7-Hydroxy-6-methoxy-8-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one, 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one, 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one, 7,8-Dihydroxy-6-methoxycoumarin 8-beta-D-glucopyranoside, 2H-1-Benzopyran-2-one, 8-(.beta.-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-, UNII-V7M270Y072, Fraxin (Standard), EINECS 208-355-5, Fraxetin-8-glucoside, FRAXIN [MI], Fraxin, analytical standard, FRAXETOL 8-GLUCOSIDE, MLS002473090, fraxetin-8-O-beta-D-glucoside, CHEMBL293864, MEGxp0_000484, orb1303753, orb3140478, SCHEMBL1227439, ACon1_000325, EX-A8002Y, HY-N0579R, WLZ4730, CRSFLLTWRCYNNX-QBNNUVSCSA-N, fraxetin-8-beta-D-glucopyranoside, HMS2225L24, HY-N0579, fraxetin-8-O-beta-D-glucopyranoside, BDBM50428429, s9296, AKOS037514646, CCG-268292, EBC-615938, FF73926, NCGC00169184-01, 7-hydroxy-6-methoxy-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one, AC-34583, AS-77295, SMR001397192, FRAXETIN 8-.BETA.-D-GLUCOPYRANOSIDE, CS-0009114, NS00032506, Q1452081, BRD-K31984062-001-01-6, 7,8-Dihydroxy-6-methoxycoumarin 8-|A-D-glucopyranoside, 8-(beta-d-glucopyranosyloxy)-7-hydroxy-6-methoxycoumarin, 7,8-Dihydroxy-6-methoxycoumarin-beta-D-glucopyranoside hplc, 7,8-DIHYDROXY-6-METHOXYCOUMARIN 8-.BETA.-D-GLUCOPYRANOSIDE, 7-hydroxy-6-methoxy-2-oxo-2H-chromen-8-yl beta-D-glucopyranoside, 7-Hydroxy-6-methoxy-2-oxo-2H-1-benzopyran-8-yl beta-D-glucopyranoside, InChI=1/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s
Theoretical properties:
molecular_formula: C16H18O10
molecular_weight: 370.31 g/mol
exact_mass: 370.08999677 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 4
heavy_atom_count: 26
topological_polar_surface_area: 155 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Fraxin is a beta-D-glucoside that is fraxetin attached to a beta-D-glucopyranosyl group at position 8 via a glycosidic linkage. It is a natural product isolated from the leaves of Fraxinus excelsior and exhibits potent hepatoprotective effects in vitro and in vivo. It has a role as a hepatoprotective agent, an anti-inflammatory agent and a plant metabolite. It is a beta-D-glucoside, an aromatic ether and a hydroxycoumarin. It is functionally related to a fraxetin.
chebi: A β-<small>D</small>-glucoside that is fraxetin attached to a β-<small>D</small>-glucopyranosyl group at position 8 via a glycosidic linkage. It is a natural product isolated from the leaves of <em>Fraxinus excelsior</em> and exhibits potent hepatoprotective effects <em>in vitro</em> and <em>in vivo</em>.
chembl: FRAXINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Fraxin is a glucoside of fraxetin. Fraxin extracted from ash bark exhibits fluorescence in aqueous solution.  A blue/green luminescence can be observed by soaking ash twigs in hot water.