CAS号:20243-59-8-羟基芫花素 - 7-O-Methylluteolin-科华智慧

1. 主信息

英文名:	7-O-Methylluteolin
中文名:	羟基芫花素
CAS编号:	20243-59-8
化学分子式：	C₁₆H₁₂O₆
化学分子量：	300.26 g/mol
SMILES：	COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
来源：	半边莲芫花土沉香唐古特瑞香大花益母草
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	hydroxygenkwanin

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≥98%	256	点击购买	2-8℃	现货	-
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 34 36 0 0 0 0 0 0 0999 V2000 -0.0245 0.5393 -0.1082 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3278 2.5399 -0.2457 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0254 -2.1739 0.2478 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6077 -3.1914 0.3093 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5535 2.3878 0.8233 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3009 0.5076 -0.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9931 -0.8717 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3859 0.3748 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7803 -0.5843 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -0.2948 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 -2.0668 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3851 -0.9796 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3154 -1.8366 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1696 1.5238 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5604 1.4203 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1667 0.1714 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7206 0.9229 0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 -1.2372 -0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0871 1.1963 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4746 -0.9638 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.2529 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7428 2.3633 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9466 -2.7119 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6999 2.4979 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2424 0.0313 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 1.6689 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7645 -2.1871 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1466 -1.7054 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3842 -2.8979 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0688 1.9576 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1002 1.7656 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1951 3.3557 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 2.4067 0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7505 -0.2571 -0.6419 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 15 1 0 0 0 0 2 22 1 0 0 0 0 3 12 1 0 0 0 0 3 29 1 0 0 0 0 4 11 2 0 0 0 0 5 19 1 0 0 0 0 5 33 1 0 0 0 0 6 21 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 14 2 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 13 1 0 0 0 0 12 16 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one

4.2 InChl

InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3

4.3 InChlKey

RRRSSAVLTCVNIQ-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.06218 -1.5 0 0
M  V30 2 O 5.19615 -1 0 0
M  V30 3 C 4.33013 -1.5 0 0
M  V30 4 C 4.33013 -2.5 0 0
M  V30 5 C 3.4641 -3 0 0
M  V30 6 C 2.59808 -2.5 0 0
M  V30 7 C 2.59808 -1.5 0 0
M  V30 8 C 3.4641 -1 0 0
M  V30 9 O 1.73205 -1 0 0
M  V30 10 C 0.866025 -1.5 0 0
M  V30 11 C 0.866025 -2.5 0 0
M  V30 12 C 1.73205 -3 0 0
M  V30 13 O 1.73205 -4 0 0
M  V30 14 C 4.44089e-16 -1 0 0
M  V30 15 C -0.866025 -1.5 0 0
M  V30 16 C -1.73205 -1 0 0
M  V30 17 C -1.73205 -8.88178e-16 0 0
M  V30 18 C -0.866025 0.5 0 0
M  V30 19 C -0 -0 0 0
M  V30 20 O -2.59808 0.5 0 0
M  V30 21 O -2.59808 -1.5 0 0
M  V30 22 O 3.4641 -4 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 5 22
M  V30 8 1 6 12
M  V30 9 1 6 7
M  V30 10 2 7 8
M  V30 11 1 7 9
M  V30 12 1 9 10
M  V30 13 2 10 11
M  V30 14 1 10 14
M  V30 15 1 11 12
M  V30 16 2 12 13
M  V30 17 1 14 19
M  V30 18 2 14 15
M  V30 19 1 15 16
M  V30 20 2 16 17
M  V30 21 1 16 21
M  V30 22 1 17 18
M  V30 23 1 17 20
M  V30 24 2 18 19
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
白木香	Chinese Eaglewood	Aquilaria sinensis
半边莲	Chinese Lobelia Herb	Herba Lobeliae Chinensis
瓜蒌	Trichosanthes Kirilowii Maxim	-
青叶胆	All - grass of Mile Swertia	Herba Swertiae
山茱萸	Asiatic Cornelian Cherry Fruit	Fructus Corni
芫花	flower bud of Lilac Daphne	Flos Genkwa

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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