CAS号:21637-25-2-槲皮素-3-O-葡萄糖苷

1. 主信息

英文名:	Isoquercitrin
中文名:	槲皮素-3-O-葡萄糖苷
CAS编号:	21637-25-2
化学分子式：	C₂₁H₂₀O₁₂
化学分子量：	464.4 g/mol
SMILES：	C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)C(CO)O)O)O)O)O
来源：	-
结构类型：	-
其它名称或标识：	2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one 4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy flavone, 3,3',4',5,7-pentahydroxy-, 3-beta-D-glucofuranoside isoquercetin isoquercitin

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	800	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 53 56 0 1 0 0 0 0 0999 V2000 1.6669 1.8826 0.6809 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 0.2239 -0.8053 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 1.5604 -1.7626 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7382 -0.2584 1.3594 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1459 4.3225 -0.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 4.2720 1.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 -1.5315 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9505 2.2759 -0.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3905 3.1552 -0.3854 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6995 -0.1002 0.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -4.4027 2.0571 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3658 -5.8412 -0.2926 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 2.4316 0.4523 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7352 1.4017 -0.3782 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1377 0.1013 0.1204 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6830 0.4792 0.3712 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8428 3.8074 -0.1749 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1338 4.7825 0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 -0.0187 -0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 -1.2490 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 1.1341 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 0.8295 -0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1113 -0.4935 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 -2.4510 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6989 1.8468 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 -0.8086 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -2.8681 0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1514 -3.1729 -1.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0292 1.5293 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4002 0.2044 0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3981 -4.0062 0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9583 -4.3107 -1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5816 -4.7274 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4623 2.5113 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8163 1.4815 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2497 -0.7268 -0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 -0.0524 1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2786 3.7407 -1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 4.9202 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 5.7698 0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 0.8457 -2.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3093 -1.0763 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0339 5.1920 -0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 4.1756 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7267 -1.8422 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4503 -2.3160 1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3282 -2.8605 -2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7801 2.3150 0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0924 -4.8634 -2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4419 3.2572 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7769 -1.0604 0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5215 -5.2047 1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -6.2087 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 14 1 0 0 0 0 3 41 1 0 0 0 0 4 15 1 0 0 0 0 4 42 1 0 0 0 0 5 17 1 0 0 0 0 5 43 1 0 0 0 0 6 18 1 0 0 0 0 6 44 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 8 21 2 0 0 0 0 9 25 1 0 0 0 0 9 50 1 0 0 0 0 10 30 1 0 0 0 0 10 51 1 0 0 0 0 11 31 1 0 0 0 0 11 52 1 0 0 0 0 12 33 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 45 1 0 0 0 0 27 31 1 0 0 0 0 27 46 1 0 0 0 0 28 32 2 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 49 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

4.2 InChl

InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1

4.3 InChlKey

OPJZLUXFQFQYAI-GNPVFZCLSA-N

4.4 Canonical SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)C(CO)O)O)O)O)O

4.5 lsomeric SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)O)O

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
桑叶	Mulberry Leaf	Folium Mori
旋覆花	Inula Flower	Flos Inulae

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型