CAS号:1168-42-9-四甲基高黄芩素 - Tetramethylscutellarein-科华智慧

1. 主信息

英文名:	Tetramethylscutellarein
中文名:	四甲基高黄芩素
CAS编号:	1168-42-9
化学分子式：	C₁₉H₁₈O₆
化学分子量：	342.3 g/mol
SMILES：	COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
来源：	-
结构类型：	-
其它名称或标识：	4',5,6,7-tetramethoxyflavone

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%	1280	点击购买	2-8℃	现货	-
科华智慧	10mg	HPLC≥95%	1792	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 43 45 0 0 0 0 0 0 0999 V2000 0.5091 0.6284 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5745 -1.9644 0.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0071 0.3565 0.1036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7096 2.7926 -0.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2053 -3.0606 0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8263 0.3950 -0.1413 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5085 -0.7199 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 0.5101 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 -0.7802 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2734 -0.5271 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6439 0.4018 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7008 -1.9482 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 1.6901 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9938 1.6342 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7644 -1.7675 0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7295 -0.2861 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5795 -1.2295 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2636 0.8878 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9547 -1.0009 -0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6389 1.1167 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4845 0.1723 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9171 -2.5953 -1.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6292 0.4032 1.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0744 3.2759 -1.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3012 1.6149 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 2.6509 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3642 -2.6683 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -2.1451 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6279 1.6364 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 -1.7377 -1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9837 2.0473 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2254 -3.6221 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 -2.6213 -1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7556 -2.0700 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3191 -0.4504 1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7121 0.3548 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3862 1.3393 1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7005 2.5457 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1812 3.4976 -1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6467 4.1986 -1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1001 1.6630 1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9099 2.4869 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3892 1.6264 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 11 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 24 1 0 0 0 0 5 12 2 0 0 0 0 6 21 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 9 11 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one

4.2 InChl

InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3

4.3 InChlKey

URSUMOWUGDXZHU-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.19615 1 0 0
M  V30 2 O 4.33013 1.5 0 0
M  V30 3 C 3.4641 1 0 0
M  V30 4 C 3.4641 -1.33227e-15 0 0
M  V30 5 C 2.59808 -0.5 0 0
M  V30 6 C 1.73205 -1.22125e-15 0 0
M  V30 7 C 1.73205 1 0 0
M  V30 8 C 2.59808 1.5 0 0
M  V30 9 C 0.866025 -0.5 0 0
M  V30 10 C 0.866025 -1.5 0 0
M  V30 11 C 4.44089e-16 -2 0 0
M  V30 12 O 4.44089e-16 -3 0 0
M  V30 13 C -0.866025 -1.5 0 0
M  V30 14 C -1.73205 -2 0 0
M  V30 15 C -2.59808 -1.5 0 0
M  V30 16 C -2.59808 -0.5 0 0
M  V30 17 C -1.73205 -5.10703e-15 0 0
M  V30 18 C -0.866025 -0.5 0 0
M  V30 19 O -0 -0 0 0
M  V30 20 O -3.4641 -6.43929e-15 0 0
M  V30 21 C -4.33013 -0.5 0 0
M  V30 22 O -3.4641 -2 0 0
M  V30 23 C -3.4641 -3 0 0
M  V30 24 O -1.73205 -3 0 0
M  V30 25 C -2.59808 -3.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 7
M  V30 8 1 6 9
M  V30 9 2 7 8
M  V30 10 1 9 19
M  V30 11 2 9 10
M  V30 12 1 10 11
M  V30 13 2 11 12
M  V30 14 1 11 13
M  V30 15 1 13 18
M  V30 16 2 13 14
M  V30 17 1 14 15
M  V30 18 1 14 24
M  V30 19 2 15 16
M  V30 20 1 15 22
M  V30 21 1 16 17
M  V30 22 1 16 20
M  V30 23 2 17 18
M  V30 24 1 18 19
M  V30 25 1 20 21
M  V30 26 1 22 23
M  V30 27 1 24 25
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
日本紫珠	Japanese Beautyberry	Callicarpa japonica
雄蕊装鼠尾草	Big-flowered Javatea	Orthosiphon stamineus
杨欧夏至草	Peregrine Hoarhound	Marrubium peregrinum

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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