uspto-grants-1976_04 · 10.6084/m9.figshare.5104873.v1 · US03949085
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IDENTITY
结构与身份
- 标准SMILES
- CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
- InChIKey
- SFBODOKJTYAUCM-UHFFFAOYSA-N
- 分子式
- C18H16O3
- 平均分子量
- 280.3 g/mol
- 单同位素质量
- 280.10994437
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 35.5 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 21
- 形式电荷
- 0
- 复杂度
- 407
PROPERTIES
实验与物化性质
Melting Point
115 - 117 °C
Physical Description
Solid
Collision Cross Section
161.54 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；175.72 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；155.27 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
164.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
PHARMACOLOGY
药理信息
ATC Code
M - Musculo-skeletal system；M05 - Drugs for treatment of bone diseases；M05B - Drugs affecting bone structure and mineralization；M05BX - Other drugs affecting bone structure and mineralization；M05BX01 - Ipriflavone
QM - Musculo-skeletal system；QM05 - Drugs for treatment of bone diseases；QM05B - Drugs affecting bone structure and mineralization；QM05BX - Other drugs affecting bone structure and mineralization；QM05BX01 - Ipriflavone
Metabolism/Metabolites
Ipriflavone has known human metabolites that include 4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-(1-methylethoxy)-, 7-Hydroxyisoflavone, and 3-Phenyl-7-(1-methyl-2-hydroxyethoxy)-4H-1-benzopyran-4-one.
Cellular Locations
Membrane
ALIASES
名称与别名
ipriflavone35212-22-7OstenYambolap7-IsopropoxyisoflavoneIpriflavonaIpriflavonumOstivoneDTXSID50406797-(1-Methylethoxy)-3-phenyl-4H-1-benzopyran-4-one3-phenyl-7-(propan-2-yloxy)-4H-chromen-4-one80BJ7WN25ZNSC-755888DTXCID3020679CHEBI:31719RefChem:923535M05BX017-(1-Methylethyl)oxy-3-phenyl-4H-chromen-4-oneOsteofix7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one
REACTIONS
参与反应
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