Orobol

Chemical Information
Orobol is a member of the class of 7-hydroxyisoflavones which consists of isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4'. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as a radical scavenger, an anti-inflammatory agent, a plant metabolite and a fungal metabolite. It is functionally related to an isoflavone.
| CAS Number | 480-23-9 |
| PubChem CID | 5281801 |
| IUPAC Name | 3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Molecular Formula | C15H10O6 |
| Molecular Weight | 286.24 |
| XLogP | 2.3 |
| Topological Polar Surface Area | 107 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 447 |
| Property | Value |
|---|---|
| Molecular Weight | 286.24 |
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 286.04773803 |
| Monoisotopic Mass | 286.04773803 |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 447 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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