Isogenistein 7-glucoside
PubChem CID: 131751508
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| Compound Synonyms | Isogenistein 7-glucoside, 5-hydroxy-3-(2-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 5,7,2'-Trihydroxyisoflavone 7-O-glucoside, 5-hydroxy-3-(2-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one, CHEBI:176079 |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 31.0 |
| Description | Isolated from rootbark of Cajanus cajan (pigeon pea). Isogenistein 7-glucoside is found in pigeon pea and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 683.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-(2-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 0.9 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Isoflavonoid O-glycosides |
| Molecular Formula | C21H20O10 |
| Inchi Key | VEEIDCZENCXYKD-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 2',5,7-Trihydroxyisoflavone 7-O-b-D-glucopyranoside, 5,7,2'-Trihydroxyisoflavone 7-O-glucoside, Isogenistein 7-glucoside, Isogenistein 7-O-glucoside |
| Compound Name | Isogenistein 7-glucoside |
| Kingdom | Organic compounds |
| Exact Mass | 432.106 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| 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 |
| Inchi | InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-9-5-13(24)16-14(6-9)29-8-11(17(16)25)10-3-1-2-4-12(10)23/h1-6,8,15,18-24,26-28H,7H2 |
| Smiles | C1=CC=C(C(=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Isoflavonoid O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Cajanus Cajan (Plant) Rel Props:Source_db:fooddb_chem_all