InChIKey | JUHXHWKPHWGZKL-UHFFFAOYSA-N |
Inchi | InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(11-16(26)22(14)28-5)29-18-10-15(25)13-8-9-24(3,4)30-23(13)20(18)21(19)27/h6,10-11,25-26H,7-9H2,1-5H3 |
SMILES | C/C(=C/CC1C(OC)=C(O)C=C2C=1C(C1C(O2)=CC(O)=C2CCC(OC=12)(C)C)=O)/C |
LogP | 4.97830 |
PSA | 89.13000 |
熔点 | 245-249°C |
颜色与性状 | Powder |
精确分子量 | 410.17300 |
氢键供体数量 | 2 |
氢键受体数量 | 6 |
可旋转化学键数量 | 3 |
同位素质量 | 410.17293854 g/mol |
重原子数量 | 30 |
复杂度 | 683 |
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) | 5.1 |
拓扑分子极性表面积 | 85.2Ų |
分子量 | 410.5 |
1.
The structure of mangostin
G. H. Stout,M. M. Krahn,P. Yates,H. B. Bhat Chem. Commun. (London) 1968 211
2.
Identification of hepatoprotective xanthones from the pericarps of Garcinia mangostana, guided with tert-butyl hydroperoxide induced oxidative injury in HL-7702 cells
Anqi Wang,Qianyu Liu,Yang Ye,Yitao Wang,Ligen Lin Food Funct. 2015 6 3013
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Design, synthesis and structure–activity relationships of mangostin analogs as cytotoxic agents
Xiao-Qian Chi,Cheng-Ting Zi,Hong-Mei Li,Liu Yang,Yong-Feng Lv,Jin-Yu Li,Bo Hou,Fu-Cai Ren,Jiang-Miao Hu,Jun Zhou RSC Adv. 2018 8 41377
4.
New insights into the anti-obesity activity of xanthones from Garcinia mangostana
Qian-Yu Liu,Yi-Tao Wang,Li-Gen Lin Food Funct. 2015 6 383
SMILES
CC(C)=CCC1=C2C(=O)C3=C4C(CCC(C)(C)O4)=C(O)C=C3OC2=CC(O)=C1OC