Genisteol 7-monoglucoside
PubChem CID: 5284639
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| Compound Synonyms | Genistein-7-glucoside, Genistoside, Genistein glucoside, Genistein 7-glucoside, Genisteol 7-monoglucoside, NSC5112, Genistein, 7-.beta.-D-glucopyranoside, Genistein 7-O-.beta.-D-glucoside, Genistin (8CI), 5-hydroxy-3-(4-hydroxyphenyl)-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one, Isoflavone, 4',5,7-trihydroxy-, 7-D-glucoside, Genistein-7-O-beta-D-glucopyranoside, 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-, 4',5,7-Trihydroxyisoflavone 7-glucoside, MLS000563446, CHEMBL1364260, SCHEMBL12464298, CHEBI:91655, DTXSID00859459, Genistein-7beta-D-Glucopyranoside, HMS2219H07, HMS3345H09, HSCI1_000131, AKOS015963363, AC-6045, Glucopyranoside, genistein-7, .beta.-D-, NCI60_004232, SMR000232340, Isoflavone,5,7-trihydroxy-, 7-D-glucoside, NS00094678, A829327, SR-01000721801, SR-01000721801-3, BRD-A36151937-001-01-2, Q27163479, 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl hexopyranoside, 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside, 5-hydroxy-3-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one, 7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 31.0 |
| Description | Present in soy foods. Potential nutriceutical. Isolated from Prunus avium (wild cherry) Genistin is one of several known isoflavones. Genistin is found in a number of plants and herbs like soy. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 675.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, P51151, Q16637, P02791, P00811, O15118, P15428, Q16236, P04637, Q96QE3, Q9UIF8, P08659, O75496, P38398, O75874, Q13148, n.a., Q9NR56 |
| Iupac Name | 5-hydroxy-3-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Prediction Hob | 0.0 |
| Class | Isoflavonoids |
| Target Id | NPT483, NPT537, NPT93, NPT538, NPT151 |
| Xlogp | 0.9 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Isoflavonoid O-glycosides |
| Molecular Formula | C21H20O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCOLJUOHXJRHDI-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.896 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 1.515 |
| Synonyms | 4',5,7-trihydroxyisoflavone 7-D-glucoside, 4',5,7-Trihydroxyisoflavone 7-glucoside, Genistein 7-glucoside, Genistein 7-O-beta-D-glucoside, Genistein glucoside, Genistein-7-glucoside, Genistein-7-O-beta-D-glucopyranoside, Genistein-7beta-D-glucopyranoside, Genistein, 7-beta-D-glucopyranoside, Genistein, 7-O-beta-D-glucoside, Genisteol 7-monoglucoside, Genistin, Genistin (8CI), Genistine, Genistoside, Glucopyranoside, genistein-7, beta-D-, Glucosyl-7-genistein, Isoflavone, 4',5,7-trihydroxy-, 7-D-glucoside, Prevention 10 (soy isoflavone concentrate), 4',5,7-Trihydroxyisoflavone 7-D-glucoside, Genistin (8ci) |
| Compound Name | Genisteol 7-monoglucoside |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 432.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 432.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 432.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.6827976838709686 |
| Inchi | InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2 |
| Smiles | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Isoflavonoid O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Longiligulare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Amomum Villosum (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Amomum Xanthioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Genista Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Lupinus Luteus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Piptanthus Nepalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Pueraria Lobata (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Sophora Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Ulex Nanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all