CAS号:14292-40-1-花旗松素 7-O-葡萄糖苷 - Taxifolin 7-glucoside-科华智慧

1. 主信息

英文名:	Taxifolin 7-glucoside
中文名:	花旗松素 7-O-葡萄糖苷
CAS编号:	14292-40-1
化学分子式：	C₂₁H₂₂O₁₂
化学分子量：	466.4 g/mol
SMILES：	C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
来源：	-
结构类型：	黄酮醇类
其它名称或标识：	-

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	5mg	HPLC≥95%	1200	点击购买	2-8℃	现货	-
科华智慧	20mg	HPLC≥95%	2800	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 55 58 0 1 0 0 0 0 0999 V2000 -3.6906 0.0659 -0.5326 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 0.6744 1.5651 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8526 -1.9477 1.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1317 -2.4426 -1.6103 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4534 -1.3509 2.7476 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 -0.0297 0.4294 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0412 -0.0298 -3.2019 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1828 2.2005 -1.0923 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3349 4.3728 0.0051 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 3.9118 -0.6131 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2158 -1.8975 2.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8807 -3.4392 -0.1342 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5253 -1.8101 0.6350 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6232 -1.3675 -0.8250 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7615 -0.7853 1.4739 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2502 -0.9548 -1.3607 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4504 -0.3812 0.7997 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3410 -0.3988 -2.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 0.3831 -0.4775 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6860 1.1770 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2062 1.7935 -0.1499 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6354 0.8531 0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7352 2.2081 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5745 0.3423 0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0374 2.7503 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5888 2.5249 0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8288 -0.6399 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3776 3.0458 0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5199 -0.8038 0.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1601 -1.4117 -1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5466 -1.7437 0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1869 -2.3516 -1.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8802 -2.5177 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0586 -2.7995 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3346 -0.5366 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3877 0.0950 1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 -1.8089 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7653 -1.2390 0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9716 0.4956 -2.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7347 -1.1398 -3.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3145 -2.5937 0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5032 -3.1822 -1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2994 0.3546 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8984 -2.1362 2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 1.8833 0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 -0.7057 1.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4587 3.1707 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6987 0.6225 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2628 -0.2146 1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6294 -1.2934 -2.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8178 2.0702 -1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4366 -2.9478 -2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5486 4.6240 -0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8905 -2.5882 1.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9699 -3.8789 -0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 41 1 0 0 0 0 4 14 1 0 0 0 0 4 42 1 0 0 0 0 5 15 1 0 0 0 0 5 44 1 0 0 0 0 6 19 1 0 0 0 0 6 22 1 0 0 0 0 7 18 1 0 0 0 0 7 48 1 0 0 0 0 8 21 1 0 0 0 0 8 51 1 0 0 0 0 9 28 1 0 0 0 0 9 53 1 0 0 0 0 10 25 2 0 0 0 0 11 31 1 0 0 0 0 11 54 1 0 0 0 0 12 33 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 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 21 1 0 0 0 0 19 27 1 0 0 0 0 19 43 1 0 0 0 0 20 24 1 0 0 0 0 20 26 2 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 28 2 0 0 0 0 24 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 29 49 1 0 0 0 0 30 32 2 0 0 0 0 30 50 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

4.2 InChl

InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1

4.3 InChlKey

BJAHHJOBSKZTFE-JUIPTLLLSA-N

4.4 Canonical SMILES

C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O

4.5 lsomeric SMILES

C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 36 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -4.33013 0.5 0 0
M  V30 2 C -5.19615 -5.77316e-15 0 0
M  V30 3 C -6.06218 0.5 0 0
M  V30 4 C -6.06218 1.5 0 0
M  V30 5 C -5.19615 2 0 0
M  V30 6 C -4.33013 1.5 0 0
M  V30 7 C -3.4641 2 0 0
M  V30 8 C -3.4641 3 0 0
M  V30 9 C -2.59808 3.5 0 0
M  V30 10 O -2.59808 4.5 0 0
M  V30 11 C -1.73205 3 0 0
M  V30 12 C -0.866025 3.5 0 0
M  V30 13 C -3.55271e-15 3 0 0
M  V30 14 C -2.10942e-15 2 0 0
M  V30 15 C -0.866025 1.5 0 0
M  V30 16 C -1.73205 2 0 0
M  V30 17 O -2.59808 1.5 0 0
M  V30 18 O 0.866025 1.5 0 0
M  V30 19 C 0.866025 0.5 0 0
M  V30 20 C 1.73205 3.21965e-15 0 0
M  V30 21 C 1.73205 -1 0 0
M  V30 22 C 0.866025 -1.5 0 0
M  V30 23 C 2.10942e-15 -1 0 0
M  V30 24 O -0 -0 0 0
M  V30 25 C -0.866025 -1.5 0 0
M  V30 26 O -0.866025 -2.5 0 0
M  V30 27 O 0.866025 -2.5 0 0
M  V30 28 O 2.59808 -1.5 0 0
M  V30 29 O 2.59808 0.5 0 0
M  V30 30 O -0.866025 4.5 0 0
M  V30 31 O -4.33013 3.5 0 0
M  V30 32 O -6.9282 2 0 0
M  V30 33 O -6.9282 -4.88498e-15 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 3 33
M  V30 6 1 4 5
M  V30 7 1 4 32
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 1 7 17
M  V30 11 1 7 8
M  V30 12 1 8 9
M  V30 13 1 8 31
M  V30 14 2 9 10
M  V30 15 1 9 11
M  V30 16 1 11 16
M  V30 17 2 11 12
M  V30 18 1 12 13
M  V30 19 1 12 30
M  V30 20 2 13 14
M  V30 21 1 14 15
M  V30 22 1 14 18
M  V30 23 2 15 16
M  V30 24 1 16 17
M  V30 25 1 18 19
M  V30 26 1 19 24
M  V30 27 1 19 20
M  V30 28 1 20 21
M  V30 29 1 20 29
M  V30 30 1 21 22
M  V30 31 1 21 28
M  V30 32 1 22 23
M  V30 33 1 22 27
M  V30 34 1 23 24
M  V30 35 1 23 25
M  V30 36 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END

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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

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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