SKI V

Chemical Information
3',4'-dihydroxyaurone is a hydroxyaurone that is aurone which is substituted by hydroxy groups at the 3' and 4' positions; major species at pH 7.3. It shows inhibitory activity against several isoforms of the histone deacetylase complex (HDAC). It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a member of catechols and a hydroxyaurone. It is functionally related to a 2',3,4-trihydroxy-trans-chalcone.
| CAS Number | 24418-86-8 |
| PubChem CID | 5793932 |
| IUPAC Name | (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-1-benzofuran-3-one |
| Molecular Formula | C15H10O4 |
| Molecular Weight | 254.24 |
| XLogP | 2.9 |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 390 |
| Property | Value |
|---|---|
| Molecular Weight | 254.24 |
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 254.05790880 |
| Monoisotopic Mass | 254.05790880 |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 390 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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