| MDL | MFCD00017692 |
| InChIKey | JVXZRQGOGOXCEC-UHFFFAOYSA-N |
| Inchi | 1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H |
| SMILES | O1C(=C([H])C(C2C(=C(C(=C([H])C1=2)O[H])O[H])O[H])=O)C1C([H])=C([H])C(=C([H])C=1[H])O[H] |
| LogP | 2.28240 |
| PSA | 111.13000 |
| Merck | 8412 |
| 折射率 | 1.767 |
| 沸点 | 642.9℃ at 760mmHg |
| 熔点 | 347°C(lit.) |
| 蒸气压 | 0.0±2.0 mmHg at 25°C |
| 闪点 | 249.9°C |
| 溶解度 | DMSO: soluble1mg/mL, clear, greenish-yellow |
| 颜色与性状 | Brown powder |
| 最大波长(λmax) | 339(EtOH)(lit.) |
| 密度 | 1.654 |
| 精确分子量 | 286.04800 |
| 氢键供体数量 | 4 |
| 氢键受体数量 | 6 |
| 可旋转化学键数量 | 1 |
| 同位素质量 | 286.048 |
| 重原子数量 | 21 |
| 复杂度 | 439 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 0 |
| 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） | 1.4 |
| 拓扑分子极性表面积 | 107 |
| 分子量 | 286.24 |
| EINECS | No data available |
| 海关编码 | 2914501900 |
| 海关数据 |
中国海关编码：2914501900概述：2914501900 其他酮酚。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0% 申报要素：品名, 成分含量, 用途, 丙酮报明包装 Summary：2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
1.
Flavonoids and their glycosides, including anthocyanins
Nigel C. Veitch,Renée J. Grayer Nat. Prod. Rep. 2011 28 1626
2.
Flavonoids and their glycosides, including anthocyanins
Nigel C. Veitch,Renée J. Grayer Nat. Prod. Rep. 2008 25 555
3.
Polyphenols of Chinese skullcap roots: from chemical profiles to anticancer effects
Lingchong Wang,Dapeng Zhang,Ning Wang,Sha Li,Hor-Yue Tan,Yibin Feng RSC Adv. 2019 9 25518
4.
Identification of scutellarein metabolites in rat using ultra performance liquid chromatography/quadrupole-time-of-flight mass spectrometry
Hao Tang,Nian-Guang Li,Yu-Ping Tang,Qian-Ping Shi,Jian-Ming Guo,Wei Zhang,Min-Zhe Shen,Jin-Ao Duan Anal. Methods 2014 6 4667
5.
Properties and applications of flavonoid metal complexes
Maria M. Kasprzak,Andrea Erxleben,Justyn Ochocki RSC Adv. 2015 5 45853
6.
Polyphenols from traditional Chinese medicine and Mediterranean diet are effective against Aβ toxicity in vitro and in vivo in Caenorhabditis elegans
Adriana Gea-González,Samanta Hernández-García,Paula Henarejos-Escudero,Pedro Martínez-Rodríguez,Francisco García-Carmona,Fernando Gandía-Herrero Food Funct. 2022 13 1206
7.
A strategy for establishment of practical identification methods for Chinese patent medicine from systematic multi-component characterization to selective ion monitoring of chemical markers: Shuxiong tablet as a case study
Changliang Yao,Wenzhi Yang,Wei Si,Huiqin Pan,Shi Qiu,Jia Wu,Xiaojian Shi,Ruihong Feng,Wanying Wu,Dean Guo RSC Adv. 2016 6 65055
8.
Discovery and characterization of naturally occurring potent inhibitors of catechol-O-methyltransferase from herbal medicines
Dong-Fang Zhao,Yu-Fan Fan,Fang-Yuan Wang,Fan-Bin Hou,Frank J. Gonzalez,Shi-Yang Li,Ping Wang,Yang-Liu Xia,Guang-Bo Ge,Ling Yang RSC Adv. 2021 11 10385
9.
A review on the phytochemistry and pharmacology of the herb Scoparia dulcis L. for the potential treatment of metabolic syndrome
Zikang Jiang,Jinghui Sung,Xuyun Wang,Yangyang Zhang,Yaomiao Wang,Haifeng Zhou,Lei Wen RSC Adv. 2021 11 31235
10.
Investigating the interactions of flavonoids with human OATP2B1: inhibition assay, IC50 determination, and structure–activity relationship analysis
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| PubChemId | 329824421 |
| Reaxys RN | 289959 |
