CAS号:57096-02-3-4'-羟基汉黄芩素 - 4'-Hydroxywogonin-科华智慧

1. 主信息

英文名:	4'-Hydroxywogonin
中文名:	4'-羟基汉黄芩素
CAS编号:	57096-02-3
化学分子式：	C₁₆H₁₂O₆
化学分子量：	300.26 g/mol
SMILES：	COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)O
来源：	-
结构类型：	-
其它名称或标识：	5,7,4'-trihydroxy-8-methoxyflavone

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%	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 34 36 0 0 0 0 0 0 0999 V2000 0.0377 -0.4733 0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 -2.6193 0.3763 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8674 2.3846 -0.1718 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3447 -2.3029 0.3724 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4156 3.3102 -0.3043 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3567 -0.6906 0.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 1.0088 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3173 -0.2583 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 0.6182 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1403 -1.3762 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 2.1700 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2688 1.1683 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3165 0.2754 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4592 1.8859 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5268 -1.2212 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0896 0.0483 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 1.1887 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7517 -0.9642 -0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 0.8646 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 -1.2884 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0334 -0.3741 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3539 -3.3543 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1198 2.7359 -0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1702 0.1715 0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9483 2.1544 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0533 -1.6926 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 1.5834 0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 -2.2542 -0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2016 3.0834 -0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2705 -2.0058 0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6473 -2.8211 -1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2897 -3.5343 -1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9171 -4.3189 -0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8515 0.0563 0.4587 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 10 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 15 1 0 0 0 0 4 30 1 0 0 0 0 5 11 2 0 0 0 0 6 21 1 0 0 0 0 6 34 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 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 11 14 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 18 26 1 0 0 0 0 19 21 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxychromen-4-one

4.2 InChl

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

4.3 InChlKey

OEZZJTAJYYSQKM-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)O

4.5 lsomeric SMILES

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
百合	Bulb of Greenish Lily	Bulbus Lilii
半枝莲	all - grass of Barbed Skullcap	Herba Scutellariae barbatae
滇黄芩	Yunnan Skullcap	Scutellaria amoena
鬼箭羽	twig of Winged Euonymus	Ramulus Euonymi
红柴胡	Red Thorowax	Bupleurum scorzonerifolium
黄芩	root of Baikal skullcap	Radix Scutellariae
马鞭草	European Verbe Herb	Herba Verbae

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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