491-80-5
Product Name:
5,7-Dihydrox -4'-methoxyisoflavone
Formula:
C16H12O5
Synonyms:
4′-Methylgenistein;5,7-Dihydroxy-4′-methoxyisoflavone;Genistein 4′-methyl ether;Olmelin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 170.41 Ų [M-H]- [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 2927.1 |
COMPUTED DESCRIPTORS
| Molecular Weight | 284.26 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 284.06847348 g/mol |
| Monoisotopic Mass | 284.06847348 g/mol |
| Topological Polar Surface Area | 76 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 424 |
| 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 |
PRODUCT INTRODUCTION
description
Biochanin A is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at position 5 and a methoxy group at position 4'. A phytoestrogen, it has putative benefits in dietary cancer prophylaxis. It has a role as a phytoestrogen, a plant metabolite, an EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor, a tyrosine kinase inhibitor and an antineoplastic agent. It is a member of 7-hydroxyisoflavones and a member of 4'-methoxyisoflavones. It is a conjugate acid of a biochanin A(1-).