Compound: Mirificin
SMILES: O=c1c(-c2ccc(O)cc2)coc3c1ccc(c3[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO[C@@H]5OC[C@]([C@H]5O)(O)CO)O
InChIKey: ZBXWGKPUSLRPHX-QOIVFALESA-N
Synonyms: Mirificin, 103654-50-8, 8-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one, CHEBI:85168, (1S)-1,5-anhydro-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol, (1S)-1,5-anhydro-6-O-((2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)-1-(7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl)-D-glucitol, 8-((2S,3R,4R,5S,6R)-6-(((2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxymethyl)-3,4,5-trihydroxyoxan-2-yl)-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one, RefChem:159038, Puerarin apioside, 8-((2S,3R,4R,5S,6R)-6-((((2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, 9FQ75MJ4HG, MFCD29048571, 4H-1-Benzopyran-4-one, 8-(6-o-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)-7-hydroxy-3-(4-hydroxyphenyl)-, 8-[(2S,3R,4R,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, Puerarinapioside, 8-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; SMCC-DM1, UNII-9FQ75MJ4HG, orb1302733, orb3139899, SCHEMBL4450630, SCHEMBL31078988, DTXSID301337021, HY-N2134, LMPK12050008, MSK169980, AKOS032946003, EBC-616878, FS-7077, daidzein 8-C-apiosyl-(1->6)-glucoside, daidzein-8-C-apiosyl-(1->6)-glycoside, DA-57228, CS-0018685, Q27158378, 8-(6-O-D-APIO-.BETA.-D-FURANOSYL-.BETA.-D-GLUCOPYRANOSYL)-7-HYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE, 8-(6-o-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Mirificin8-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Theoretical properties:
molecular_formula: C26H28O13
molecular_weight: 548.5 g/mol
exact_mass: 548.15299094 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 13
rotatable_bond_count: 6
heavy_atom_count: 39
topological_polar_surface_area: 216 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Mirificin is a flavone C-glycoside that is 7,4'-dihydroxyflavone substituted by a 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has a role as a plant metabolite. It is a dihydroxyflavone and a flavone C-glycoside.
chebi: A flavone <em>C</em>-glycoside that is 7,4'-dihydroxyflavone substituted by a 6-<em>O</em>-[(2<i>R</i>,3<i>R</i>,4<i>R</i>)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-β-<small>D</small>-glucopyranosyl residue at position 8 via a C-glycosidic linkage.
wikipedia: Mirificin, also known as daidzein 8-C-(6-apiofuranosylglucoside), is an isoflavone that is found in Pueraria mirifica and Pueraria lobata. It has estrogenic activity and hence is a phytoestrogen.