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维采宁-III | 59914-91-9

维采宁-III结构式图片|59914-91-9结构式图片
维采宁-III
Vicenin 3
59914-91-9
C26H28O14
564.4921
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:维采宁-III结构式
185958
维采宁-III价格
简介
Vicenin 3 来自广东金钱草 (Desmodium styracifolium) 的地上部分。Vicenin 3 是一种血管紧张素转换酶 (ACE) 抑制剂,IC50 为 46.91 μM。
名称和标识符
MDL MFCD21333257
InChIKey MMDUKUSNQNWVET-MCIQUCDDSA-N
Inchi 1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13-,17+,18-,21+,22-,23-,25+,26+/m1/s1
SMILES O1[C@]([H])(C([H])([H])O[H])[C@]([H])([C@@]([H])([C@]([H])([C@]1([H])C1C(=C2C(C([H])=C(C3C([H])=C([H])C(=C([H])C=3[H])O[H])OC2=C(C=1O[H])[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])(C([H])([H])O1)O[H])O[H])O[H])=O)O[H])O[H])O[H])O[H]
别名信息
- 中文别名 -
  • 维采宁-III
  • 维采宁-3
  • 芹菜素-6-C-葡萄糖-8-C-木糖苷
  • 巢菜素 III
  • 维农宁III
  • 新西兰牡荆苷3
  • 新西兰牡荆甙 3
  • 维采宁 3
  • 芹菜素-6-C-葡萄糖-8-C-木糖苷(分析标准品)
- 英文别名 -
  • Vicenin III
  • Vicenin 3
  • 6-C-Glucosyl-8-C-xylosylapigenin
  • 6-beta-D-Glucopyranosyl-8-beta-D-xylopyranosylapigenin
  • 6-C-glucosyl-8-C-arabinosyl-apigenin
  • 4′,5,7-Trihydroxyflavone 6-C-glucoside 8-C-xyloside
  • 6-C-Glucosyl 8-C-xylosylapigenin
  • 6-C-beta-D-Glucopyranosyl-8-C-beta-D-xylopyranosylapigenin
  • Vicenin-3
  • 6-C-Glucopyranosyl-8-C-beta-D-xylopyranosylapigenin
  • Vicenin -3
  • apigenin 8-C-xyloside-6-C-glucoside
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]-8-[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl]-4h-chromen-4-one(non-preferred name)
  • 6-beta-D-glucopyranosyl
  • Vicenin III
  • 6-C-Glucosyl-8-C-xylosylapigenin
  • Vicenin III
  • 6-C-Glucosyl-8-C-xylosylapigenin
  • 6-c-beta-d-glucopyranosyl-8-c-beta-d-xylopyranosyl-4',5,7-trihydroxyflavone
  • 6-c-beta-d-glucopyranosyl-8-c-beta-d-xylopyranosyl-4',5,7-trihydroxyflavone
  • MFCD21333257
  • MFCD21333257
  • CS-0032093
  • CS-0032093
  • AKOS037514882
  • AKOS037514882
  • CHEBI:142905
  • CHEBI:142905
  • 6-C-beta-D-glucosyl-8-C-beta-D-xylosyl-4',5,7-trihydroxyflavone
  • 6-C-beta-D-glucosyl-8-C-beta-D-xylosyl-4',5,7-trihydroxyflavone
  • 1ST166139
  • 1ST166139
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
  • MS-30224
  • MS-30224
  • 2-(4-hydroxyphenyl)-5,7-dihydroxy-6-beta-D-glucopyranosyl-8-beta-D-xylopyranosyl-4H-1-benzopyran-4-one
  • 2-(4-hydroxyphenyl)-5,7-dihydroxy-6-beta-D-glucopyranosyl-8-beta-D-xylopyranosyl-4H-1-benzopyran-4-one
  • 59914-91-9
  • 59914-91-9
  • 6-beta-D-glucopyranosyl-8-beta-D-xylopyranosylapigenin
  • 6-beta-D-glucopyranosyl-8-beta-D-xylopyranosylapigenin
  • AC-34832
  • AC-34832
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one
  • HY-N4090
  • HY-N4090
  • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-8-((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
  • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-8-((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
  • Vicenin3
  • Vicenin3
物化性质
实验特性
LogP -1.75430
PSA 250.97000
折射率 1.758
沸点 935.0±65.0 °C at 760 mmHg
熔点 >250 ºC
蒸气压 0.0±0.3 mmHg at 25°C
闪点 314.3±27.8 °C
溶解度 Very 微溶 (0.42 g/L) (25 ºC),
颜色与性状 Yellow powder
密度 1.766±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 564.14800
氢键供体数量 10
氢键受体数量 14
可旋转化学键数量 4
同位素质量 564.14790556 g/mol
重原子数量 40
复杂度 938
同位素原子数量 0
确定原子立构中心数量 9
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 247
分子量 564.5
专业数据库参考
PubChemId 185958
参考资料
Reaxys RN
化合物详情(旧版)
 
扩展阅读
维采宁-III http://www.biopurify.cn/p-3584.html
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