| InChIKey | DCYOADKBABEMIQ-OWMUPTOHSA-N |
| Inchi | 1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1 |
| SMILES | O1[C@]([H])([C@@]([H])([C@@]([H])([C@]([H])([C@]1([H])C([H])([H])[H])O[H])O[H])O[H])OC1C(C2=C(C([H])=C(C([H])=C2OC=1C1C([H])=C(C(=C(C=1[H])O[H])O[H])O[H])O[H])O[H])=O |
| LogP | 0.19430 |
| PSA | 210.51000 |
| 沸点 | 896.6°C at 760 mmHg |
| 熔点 | 197°C(lit.) |
| FEMA | 4491 | MYRICITRIN |
| 溶解度 | Practically insoluble to insoluble |
| 颜色与性状 | Yellow powder |
| 密度 | 1.8800 |
| 精确分子量 | 464.09500 |
| 氢键供体数量 | 8 |
| 氢键受体数量 | 12 |
| 可旋转化学键数量 | 3 |
| 同位素质量 | 464.09547607 g/mol |
| 重原子数量 | 33 |
| 复杂度 | 760 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 5 |
| 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） | 0.5 |
| 互变异构体数量 | 195 |
| 表面电荷 | 0 |
| 拓扑分子极性表面积 | 207 |
| 分子量 | 464.4 |
| EINECS | 241-856-7 |
| MDL | MFCD00016930 |
1.
Profiling polyphenol composition by HPLC-DAD-ESI/MSn and the antibacterial activity of infusion preparations obtained from four medicinal plants
Borhane E. C. Ziani,Lillian Barros,Ali Z. Boumehira,Khaldoun Bachari,Sandrina A. Heleno,Maria Jose Alves,Isabel C. F. R. Ferreira Food Funct. 2018 9 149
2.
Detailed phytochemical characterization and bioactive properties of Myrtus nivelii Batt & Trab
Wahiba Rached,Malika Bennaceur,Lillian Barros,Ricardo C. Calhelha,Sandrina Heleno,Maria José Alves,Ana Maria Carvalho,Abderrazak Marouf,Isabel C. F. R. Ferreira Food Funct. 2017 8 3111
3.
Phytochemistry profile of rosella and jambolan extracts and the therapeutic effects on obesity
Giuseppina Negri,Daniella Calló,Brayan Jonas Mano-Sousa,Joaquim Maurício Duarte-Almeida,Elisaldo de Araujo Carlini,Ricardo Tabach Food Funct. 2022 13 2606
4.
Bioactive compounds and pharmacological and food applications of Syzygium cumini – a review
Navnidhi Chhikara,Ravinder Kaur,Sundeep Jaglan,Paras Sharma,Yogesh Gat,Anil Panghal Food Funct. 2018 9 6096
5.
Human serum albumin-specific recognition of the natural herbal extract of Stryphnodendron polyphyllum through STD NMR, hyphenations and docking simulation studies
Sheraz A. K. Tanoli,Nazish U. Tanoli,Tatiani M. Bondancia,Saman Usmani,Zaheer Ul-Haq,Jo?o B. Fernandes,Sérgio S. Thomasi,Antonio G. Ferreira RSC Adv. 2015 5 23431
6.
Amelioration of high-fat diet-induced obesity and its associated complications by a myricetin derivative-rich fraction from Syzygium malaccense in C57BL/6J mice
Devi Nallappan,Kek Heng Chua,Kien Chai Ong,Chun Wie Chong,Cindy Shuan Ju Teh,Uma Devi Palanisamy,Umah Rani Kuppusamy Food Funct. 2021 12 5876
7.
The preventive effect of phenolic-rich extracts from Chinese sumac fruits against nonalcoholic fatty liver disease in rats induced by a high-fat diet
Zihuan Wu,Yan Zhang,Xiarong Gong,Guiguang Cheng,Shibiao Pu,Shengbao Cai Food Funct. 2020 11 799
8.
α-Glucosidase inhibitors from Chinese bayberry (Morella rubra Sieb. et Zucc.) fruit: molecular docking and interaction mechanism of flavonols with different B-ring hydroxylations
Yilong Liu,Liuhuan Zhan,Chang Xu,Huamin Jiang,Changqing Zhu,Linxiao Sun,Chongde Sun,Xian Li RSC Adv. 2020 10 29347
9.
Investigating the interactions of flavonoids with human OATP2B1: inhibition assay, IC50 determination, and structure–activity relationship analysis
Taotao Peng,Shuai Liu,Ying Li,Hongjian Zhang,Bruno Hagenbuch,Chunshan Gui RSC Med. Chem. 2023 14 890
10.
Structure, synthesis, biosynthesis, and activity of the characteristic compounds from Ginkgo biloba L.
Xin-Guang Liu,Xu Lu,Wen Gao,Ping Li,Hua Yang Nat. Prod. Rep. 2022 39 474
| Reaxys RN | 69806 |
SMILES
OC1C=C2C(=C(O)C=1)C(=O)C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=C(O2)C4=CC(O)=C(O)C(O)=C4
