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结构：CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
HCID3747

Ipriflavone

3-phenyl-7-propan-2-yloxychromen-4-one

C18H16O3280.3 g/molCAS 35212-22-7
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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

已同步
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

来源：PubChem
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

来源：PubChem
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

共 137 条
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

6 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂