Ononin

Chemical Information
Ononin is a 4'-methoxyisoflavone that is formononetin attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a member of 4'-methoxyisoflavones, a 7-hydroxyisoflavones 7-O-beta-D-glucoside and a monosaccharide derivative. It is functionally related to a formononetin.
| CAS Number | 486-62-4 |
| PubChem CID | 442813 |
| IUPAC Name | 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Molecular Formula | C22H22O9 |
| Molecular Weight | 430.4 |
| XLogP | 1 |
| Topological Polar Surface Area | 135 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 659 |
| Property | Value |
|---|---|
| Molecular Weight | 430.4 |
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 430.12638228 |
| Monoisotopic Mass | 430.12638228 |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 659 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Related Products
| Catalog | Name |
|---|---|
| GTR19216802-01 | Ononetin |
| GTR19173958-01 | Ononetin |
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