Herbacetin

Chemical Information
Herbacetin is a pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities. It has a role as an EC 4.1.1.17 (ornithine decarboxylase) inhibitor, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an antineoplastic agent, an antilipemic drug, an angiogenesis inhibitor, an anti-inflammatory agent, an apoptosis inducer and a plant metabolite. It is a pentahydroxyflavone and a 7-hydroxyflavonol. It is functionally related to a kaempferol.
| CAS Number | 527-95-7 |
| PubChem CID | 5280544 |
| IUPAC Name | 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Molecular Formula | C15H10O7 |
| Molecular Weight | 302.23 |
| XLogP | 2.2 |
| Topological Polar Surface Area | 127 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 480 |
| Property | Value |
|---|---|
| Molecular Weight | 302.23 |
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 302.04265265 |
| Monoisotopic Mass | 302.04265265 |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 480 |
| 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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