ジヒドロダイゼイン
ジヒドロダイゼイン · 7-ヒドロキシ-3-(4-ヒドロキシフェニル)-4-クロマノン · Dihydrodaidzein>(±)-Dihydrodaidzein · DIHYDRODAIDZEIN hplc · Dihydrodaidzein standard · Dihydrodaidzein, 10 mM in DMSO · 7-hydroxy-3-(4-hydroxyphenyl)chroman-4-one · 7-Hydroxy-3-(4-hydroxyphenyl)-4-chromanone
識別子と物理属性
| CAS No. | 17238-05-0 |
|---|---|
| 分子式 | C15H12O4 |
| 平均分子量 | 256.25 g/mol |
| 単同位体質量 | 256.07355886 g/mol |
| SMILES | O=C1c2ccc(O)cc2OCC1c1ccc(O)cc1 |
| InChIKey | JHYXBPPMXZIHKG-UHFFFAOYSA-N |
| PubChem CID | 176907 |
| ChEBI | CHEBI:75842 |
| EC No. | 112-251-4 |
| DTXSID | DTXSID70912308 |
| 現地名 | ジヒドロダイゼイン |
化学・物理的性質
| XLogP | 2.4 |
|---|---|
| 極性表面積 | 66.8 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 1 |
| 重原子数 | 19 |
| 形式電荷 | 0 |
| 複雑度 | 335 |
| 脂質 | Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205] |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 融点 | 250 °C250-251°C |
| Physical Description | Solid |
| 沸点 | 529.5±50.0 °C(Predicted) |
| 密度 | 1.386±0.06 g/cm3(Predicted) |
| 貯蔵条件 | -20°C Freezer, Under Inert Atmosphere |
| 溶解度 | ≤0.1mg/ml in ethanol30mg/ml in DMSO10mg/ml in dimethyl formamide |
| pKa（酸解離定数） | 7.71±0.40(Predicted) |
| 外観・状態 | powder to crystal |
| 色 | Light orange to Yellow to Green |
| 由来生物 | synthetic |
| InChI | 1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2 |
| InChIKey | JHYXBPPMXZIHKG-UHFFFAOYSA-N |
| SMILES | O1CC(C(=O)c3c1cc(cc3)O)c2ccc(cc2)O |
| CAS データベース | 17238-05-0 |
化学的特性
Light Beige Needles
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 水環境危害等級（WGK） | WGK 3 |
| 税関コード | 2932990090 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
Daidzein is an isoflavonoid phytoestrogenic compound found in soybeans, pea pods, clover, kudzu, and other legumes. Dihydrodaidzein is an active, estrogenic metabolite of daidzein. It has vasodilatory action on rat isolated aortic rings at 1 μg/ml. It stimulates the estrogen receptor-dependent growth of breast cancer MCF-7 cells at micromolar concentrations. Dihydrodaidzein is produced by the metabolism of daidzein in colonic bacteria and may be further metabolized to various bioactive compounds, including equol .