CAS号:32769-01-0-3',5'-Dimethoxytricetin 7-O-β-D-glucopypranoside

1. 主信息

英文名:	Tricin 7-glucoside
中文名:	3',5'-Dimethoxytricetin 7-O-β-D-glucopypranoside
CAS编号:	32769-01-0
化学分子式：	C₂₃H₂₄O₁₂
化学分子量：	492.4 g/mol
SMILES：	COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O
来源：	合成化合物
结构类型：	-
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)	环境要求	货期	说明
科华智慧	5mg	HPLC≥92%	4160	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 59 62 0 1 0 0 0 0 0999 V2000 3.5722 1.1402 -0.6403 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5497 -1.1667 -0.9886 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5701 1.0902 0.2984 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9536 3.3772 1.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9788 -1.3849 0.4467 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9406 3.3302 -0.3267 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1094 -0.5893 -0.2695 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9576 -4.9379 0.2892 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6052 -4.5228 0.6685 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 3.4763 0.6049 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0479 0.0449 -0.5408 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 2.7015 0.0229 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1709 1.0171 0.5766 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5321 2.3351 0.1384 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5641 -0.1684 -0.1742 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0051 2.2352 0.1689 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0364 -0.1167 -0.1534 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3456 3.4984 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3398 -1.7002 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 -0.8883 -0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2383 -3.0574 -0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0308 -1.4368 -0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 -2.7925 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0029 -3.6087 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -3.3441 0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3527 -1.1078 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5747 -2.3920 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4408 -0.1094 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7494 -0.5004 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 1.2305 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 2.1736 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7772 0.4427 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4994 1.7797 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 4.3143 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8636 -0.3629 0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0776 0.8759 1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 2.5923 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9363 -0.1957 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 2.0770 1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6735 -0.2709 0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6248 3.6792 -1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 4.3794 0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 1.8596 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6416 3.1614 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6557 -1.3810 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7184 2.5550 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2642 0.1651 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1262 -3.6848 -0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5419 -2.7897 0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 -5.2073 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 -1.5298 -0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1571 1.5577 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3287 2.2595 -0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 4.3615 -1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 3.9496 -0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3749 5.3215 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9642 0.4447 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4417 -1.2523 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8564 -0.6111 0.1705 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 19 1 0 0 0 0 3 13 1 0 0 0 0 3 43 1 0 0 0 0 4 14 1 0 0 0 0 4 44 1 0 0 0 0 5 15 1 0 0 0 0 5 45 1 0 0 0 0 6 18 1 0 0 0 0 6 46 1 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 8 24 1 0 0 0 0 8 50 1 0 0 0 0 9 25 2 0 0 0 0 10 31 1 0 0 0 0 10 34 1 0 0 0 0 11 32 1 0 0 0 0 11 35 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 15 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 47 1 0 0 0 0 21 24 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

4.2 InChl

InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1

4.3 InChlKey

JGXFMIJHKASCIZ-LDBVRRDLSA-N

4.4 Canonical SMILES

COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O

4.5 lsomeric SMILES

COC1=CC(=CC(=C1O)OC)C2=CC(=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

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
朝鲜淫羊藿	Korean Epimedium	Epimedium koreanum
垂盆草	all - grass of Stringy stonecrop	Herba Sedi sarmentosi
粗毛淫羊藿	Acuminatum Epimedium	Epimedium acuminatum
大花红景天	Bigflower Rhodiola	Rhodiola crenulata [Syn. Rhodiola euryphylla]
红花绿绒蒿	Redflower Meconopsis	Meconopsis punicea
胡芦巴	Trigonellae Semen	-
金荞麦	Wild Buckwheat Rhizome	Rhizoma Fagopyri Cymosi
了哥王根	Wikstroemiae Indicae Rasix	-
芦根	Reed rhizome	Rhizoma Phragmitis
毛剪秋罗	Hairy Campion	Lychnis coronaria

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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