MDL | MFCD00287289 |
InChIKey | FURUXTVZLHCCNA-AWEZNQCLSA-N |
Inchi | 1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1 |
SMILES | O1C2C([H])=C(C([H])=C([H])C=2C(C([H])([H])[C@@]1([H])C1C([H])=C([H])C(=C([H])C=1[H])O[H])=O)O[H] |
LogP | 2.80430 |
PSA | 66.76000 |
沸点 | 529.5℃ at 760mmHg |
熔点 | 206-208°C |
闪点 | 207℃ |
溶解度 | 873.5 mg/L @ 25 °C (est) |
颜色与性状 | Powder |
精确分子量 | 256.07400 |
氢键供体数量 | 2 |
氢键受体数量 | 4 |
可旋转化学键数量 | 1 |
同位素质量 | 256.07355886 g/mol |
重原子数量 | 19 |
复杂度 | 335 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 1 |
不确定原子立构中心数量 | 0 |
确定化学键立构中心数量 | 0 |
不确定化学键立构中心数量 | 0 |
共价键单元数量 | 1 |
疏水参数计算参考值(XlogP) | 2.2 |
拓扑分子极性表面积 | 66.8 |
分子量 | 256.25 |
1.
Isoflavonoids of the Leguminosae
Nigel C. Veitch Nat. Prod. Rep. 2007 24 417
2.
Protective effect of liquiritigenin against methylglyoxal cytotoxicity in osteoblastic MC3T3-E1 cells
Kwang Sik Suh,Sang Youl Rhee,Young Seol Kim,Eun Mi Choi Food Funct. 2014 5 1432
3.
248. Chalkones. Condensation of aromatic aldehydes with resacetophenone. Part II
D. R. Nadkarni,T. S. Wheeler J. Chem. Soc. 1938 1320
4.
LC-ESI-MS/MS method for the enantioseparation of six flavanones
Irena Baranowska,Judyta Hejniak,Sylwia Magiera Anal. Methods 2017 9 1018
5.
A new method for screening aldose reductase inhibitors using ultrahigh performance liquid chromatography-tandem mass spectrometry
Guangyue Hou,Ruixing Zhang,Zifeng Pi,Fengrui Song,Zhiqiang Liu,Shuying Liu Anal. Methods 2014 6 7681
6.
Natural deep eutectic solvents as tailored and sustainable media for the extraction of five compounds from compound liquorice tablets and their comparison with conventional organic solvents
Jia-ni Dong,Guo-dong Wu,Zhi-qiang Dong,Dan Yang,Yu-kun Bo,Ming An,Long-shan Zhao RSC Adv. 2021 11 37649
7.
Flavonoids and their glycosides, including anthocyanins
Nigel C. Veitch,Renée J. Grayer Nat. Prod. Rep. 2008 25 555
8.
A systematic quality control method of Huangqi decoction: simultaneous determination of eleven flavonoids and seven triterpenoid saponins by UHPLC-MS
Hui-Long Luo,Jie Zhong,Fu-Yuan Ye,Qian Wang,Yue-Ming Ma,Ping Liu,Hua Zhang,Ming-Yu Sun,Jian Jiang Anal. Methods 2014 6 4593
9.
Comparative intestinal bacteria-associated pharmacokinetics of 16 components of Shengjiang Xiexin decoction between normal rats and rats with irinotecan hydrochloride (CPT-11)-induced gastrointestinal toxicity in vitro using salting-out sample preparation and LC-MS/MS
Huanyu Guan,Xiaoming Wang,Shiping Wang,Yang He,Jiajing Yue,Shanggao Liao,Yuanda Huang,Yue Shi RSC Adv. 2017 7 43621
10.
Contamination effect of Aspergillus carbonarius on the inherent quality of Glycyrrhiza uralensis
Shujun Zhou,Jiliang Cao,Weijun Kong,Meihua Yang,Antonio F. Logrieco,Shihai Yang,Li Wan Anal. Methods 2013 5 5528