Compound: Genistin
SMILES: O=c1c2c(occ1-c3ccc(O)cc3)cc(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)cc2O
InChIKey: ZCOLJUOHXJRHDI-CMWLGVBASA-N
Synonyms: Genistin, 529-59-9, Genistine, Genistoside, Genistein 7-glucoside, genistein 7-O-glucoside, Genistein 7-O-beta-D-glucoside, 1POG3SCN5T, DTXSID3022324, CHEBI:27514, NSC-5112, 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside, 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-, 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one, RefChem:639832, DTXCID002324, 5-hydroxy-3-(4-hydroxyphenyl)-7-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-7-((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one, 610-921-5, Genisteol 7-monoglucoside, MFCD00016883, Glucosyl-7-genistein, 4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-, 5-hydroxy-3-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one, Genistein, 7-O-beta-D-glucoside, 4',5,7-trihydroxyisoflavone 7-D-glucoside, Genistein, 7-beta-D-glucopyranoside, 4',5,7-Trihydroxyisoflavone 7-.beta.-D-glucopyranoside, NSC 5112, UNII-1POG3SCN5T, Glucopyranoside, genistein-7, beta-D-, BRN 0064479, Genistin?, 7-O-.beta.-D-glucopyranosyl genistein, genistein-7-o-beta-glucopyranoside, Genistin (Standard), A1EGY, genistein-7-o-glucoside, GENISTIN [USP-RS], SCHEMBL62148, Genistin, analytical standard, 4-18-00-02732 (Beilstein Handbook Reference), MLS006010735, BIDD:ER0520, CHEMBL486625, genistein-7-o-beta-d-glucoside, MEGxp0_000436, orb1304894, orb3140512, GENISTEIN GENISTIN [MI], SCHEMBL29724094, ACon1_001495, HY-N0595R, WLZ4743, Genistin - CAS 529-59-9, Genistin, >=97.5% (TLC), GLXC-06732, HY-N0595, MSK40177, BDBM50025609, Genistein-7 -O-?-D-glucopyranoside, AKOS025146960, CCG-208377, CS-4240, EBC-615431, MG08126, NCGC00163559-01, NCGC00163559-02, NCGC00180447-01, 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one, AS-11684, DA-53547, SMR003929926, SY076058, G0358, 4,5,7-Trihydroxyisoflavone 7-?-D-glucoside, C09126, GENISTEIN 7-O-.BETA.-D-GLUCOPYRANOSIDE, Genistin, primary pharmaceutical reference standard, Q5533221, BRD-K51391729-001-01-4, GENISTIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC], Genistin, from Glycine max (soybean), >=95% (HPLC), 5,4'-DI-HYDROXYISOFLAVONE-7-O-.BETA.-D-GLUCOPYRANOSIDE, Genistin, United States Pharmacopeia (USP) Reference Standard, GenistinGenistine; Genistein 7-glucoside; Genistein glucoside, 4H-1-Benzopyran-4-one, 7-(|A-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-, 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside, 7-(?-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran- 4-one
Theoretical properties:
molecular_formula: C21H20O10
molecular_weight: 432.4 g/mol
exact_mass: 432.10564683 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 6
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 4
heavy_atom_count: 31
topological_polar_surface_area: 166 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Genistein 7-O-beta-D-glucoside is a 7-hydroxyisoflavones 7-O-beta-D-glucoside. It has a role as an anti-inflammatory agent, an apoptosis inducer and a cardioprotective agent. It is functionally related to a genistein. It is a conjugate acid of a genistein 7-O-beta-D-glucoside(1-).
chembl: GENISTIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Genistin is an isoflavone found in a number of dietary plants like soy and kudzu. It was first isolated in 1931 from the 90% methanol extract of a soybean meal, when it was found that hydrolysis with hydrochloric acid produced 1 mole each of genistein and glucose. Chemically it is the 7-O-beta-D-glucoside form of genistein and is the predominant form of the isoflavone naturally occurring in plants. In fact, studies in the 1970s revealed that 99% of the  isoflavonoid compounds in soy are present as their glucosides. The glucosides are converted by digestive enzymes in the digestive system to exert their biological effects. Genistin is also converted to a more familiar genistein, thus, the biological activities including antiatherosclerotic, estrogenic and anticancer effects are analogous.