CAS号:855-97-0-木犀草素四甲醚 - 3',4',5,7-Tetramethoxyflavone-科华智慧

1. 主信息

英文名:	3',4',5,7-Tetramethoxyflavone
中文名:	木犀草素四甲醚
CAS编号:	855-97-0
化学分子式：	C₁₉H₁₈O₆
化学分子量：	342.3 g/mol
SMILES：	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC
来源：	龙须藤
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	3',4',5,7-tetramethoxyflavone 3',4',5,7-tetramethyl-luteolin 5,7,3',4'-tetramethylluteolin

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	10mg	HPLC≥95%	576	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 -0.3540 -0.4953 -0.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6185 1.8033 -0.0036 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4235 -2.9403 -0.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -1.7950 0.8832 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 3.0699 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9348 0.1870 -0.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4603 0.7117 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7253 -0.4716 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3279 0.7121 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7975 0.5713 -0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8561 0.6756 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7402 1.9942 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2659 1.9151 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 -1.7013 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7781 -1.7417 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5124 -0.5558 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -0.5566 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 1.5656 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7948 -0.6894 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5782 0.3052 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 1.4328 -0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9509 2.3073 1.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -4.1133 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5687 -2.9162 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6616 0.7256 0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 2.8568 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -2.5884 -0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5989 -0.5944 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8154 -1.3396 0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 2.4478 -1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5777 2.2086 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3671 3.3112 1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 2.3673 1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 1.6680 1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9855 -4.2066 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 -4.1614 -1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2902 -4.9738 -0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 -2.6516 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 -3.2824 -0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 -3.7128 0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3698 0.2316 1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4954 1.8047 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7266 0.5471 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 4 19 1 0 0 0 0 4 24 1 0 0 0 0 5 12 2 0 0 0 0 6 20 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 21 2 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 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

2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one

4.2 InChl

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

4.3 InChlKey

CLXVBVLQKLQNRQ-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)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 -6.9282 -3 0 0
M  V30 2 O -6.06218 -3.5 0 0
M  V30 3 C -5.19615 -3 0 0
M  V30 4 C -5.19615 -2 0 0
M  V30 5 C -4.33013 -1.5 0 0
M  V30 6 C -3.4641 -2 0 0
M  V30 7 C -3.4641 -3 0 0
M  V30 8 C -4.33013 -3.5 0 0
M  V30 9 C -2.59808 -1.5 0 0
M  V30 10 C -2.59808 -0.5 0 0
M  V30 11 C -1.73205 6.66134e-16 0 0
M  V30 12 O -1.73205 1 0 0
M  V30 13 C -0.866025 -0.5 0 0
M  V30 14 C -0.866025 -1.5 0 0
M  V30 15 O -1.73205 -2 0 0
M  V30 16 C -3.21965e-15 -2 0 0
M  V30 17 C 0.866025 -1.5 0 0
M  V30 18 C 0.866025 -0.5 0 0
M  V30 19 C 0 -0 0 0
M  V30 20 O 3.60822e-15 1 0 0
M  V30 21 C 0.866025 1.5 0 0
M  V30 22 O 1.73205 -2 0 0
M  V30 23 C 2.59808 -1.5 0 0
M  V30 24 O -6.06218 -1.5 0 0
M  V30 25 C -6.06218 -0.5 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 1 4 24
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 6 9
M  V30 10 2 7 8
M  V30 11 1 9 15
M  V30 12 2 9 10
M  V30 13 1 10 11
M  V30 14 2 11 12
M  V30 15 1 11 13
M  V30 16 1 13 19
M  V30 17 2 13 14
M  V30 18 1 14 15
M  V30 19 1 14 16
M  V30 20 2 16 17
M  V30 21 1 17 18
M  V30 22 1 17 22
M  V30 23 2 18 19
M  V30 24 1 19 20
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
白叶香茶菜	Whiteleaf Rabdosia	Isodon leucophyllus
地耳草	all - grass of Japanese St. Johnswort	Herba Hyperici Japonici
桑叶	Mulberry Leaf	Folium Mori
枳实	immature fruit of Seville orange	Fructus Aurantii Immaturus

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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