CAS号:3570-62-5-7-O-甲基汉黄芩素 - 5-Hydroxy-7,8-dimethoxyflavone-科华智慧

1. 主信息

英文名:	5-Hydroxy-7,8-dimethoxyflavone
中文名:	7-O-甲基汉黄芩素
CAS编号:	3570-62-5
化学分子式：	C₁₇H₁₄O₅
化学分子量：	298.29 g/mol
SMILES：	COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3)OC
来源：	-
结构类型：	-
其它名称或标识：	5-Hydroxy-7,8-dimethoxy-2-phenyl-4H-chromen-4-one 5-hydroxy-7,8-dimethoxyflavone 7-O-methylwogonin moslosooflavone

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≥98%	960	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 36 38 0 0 0 0 0 0 0999 V2000 0.4878 0.4491 0.0325 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 2.3859 0.1121 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 1.7296 0.0284 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -2.8844 -0.2133 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4726 -3.5031 -0.2028 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 -1.2665 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 0.0668 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7878 1.0793 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4633 -0.5351 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5834 -1.5976 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1951 -2.3139 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1435 0.7528 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 -1.8508 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5402 -0.5828 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -0.0146 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8566 -0.7753 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1445 1.2409 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1607 -0.2837 0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 1.7324 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4568 0.9700 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2037 3.0790 -1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5651 2.1220 1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9709 -2.6174 -0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5982 -0.8325 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6628 -1.7466 1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 1.8528 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 -0.8746 1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6801 2.7079 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -3.4988 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4721 1.3531 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1305 3.1123 -1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4107 2.6028 -1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8994 4.1035 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0402 1.2768 1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3088 2.9123 1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7444 2.5138 1.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 3 12 1 0 0 0 0 3 22 1 0 0 0 0 4 10 1 0 0 0 0 4 29 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 17 19 2 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 20 1 0 0 0 0 19 28 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-hydroxy-7,8-dimethoxy-2-phenylchromen-4-one

4.2 InChl

InChI=1S/C17H14O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-9,19H,1-2H3

4.3 InChlKey

IHLSBQVBFDTNTC-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3)OC

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 6.06218 -0.5 0 0
M  V30 3 C 5.19615 -2.44249e-15 0 0
M  V30 4 C 4.33013 -0.5 0 0
M  V30 5 C 3.4641 -1.77636e-15 0 0
M  V30 6 C 3.4641 1 0 0
M  V30 7 C 4.33013 1.5 0 0
M  V30 8 C 5.19615 1 0 0
M  V30 9 O 4.33013 2.5 0 0
M  V30 10 C 2.59808 1.5 0 0
M  V30 11 O 2.59808 2.5 0 0
M  V30 12 C 1.73205 1 0 0
M  V30 13 C 1.73205 -1.11022e-15 0 0
M  V30 14 O 2.59808 -0.5 0 0
M  V30 15 C 0.866025 -0.5 0 0
M  V30 16 C 0.866025 -1.5 0 0
M  V30 17 C 1.00717e-15 -2 0 0
M  V30 18 C -0.866025 -1.5 0 0
M  V30 19 C -0.866025 -0.5 0 0
M  V30 20 C 0 0 0 0
M  V30 21 O 4.33013 -1.5 0 0
M  V30 22 C 3.4641 -2 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 21
M  V30 7 1 5 14
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 1 6 10
M  V30 11 2 7 8
M  V30 12 1 7 9
M  V30 13 2 10 11
M  V30 14 1 10 12
M  V30 15 2 12 13
M  V30 16 1 13 14
M  V30 17 1 13 15
M  V30 18 1 15 20
M  V30 19 2 15 16
M  V30 20 1 16 17
M  V30 21 2 17 18
M  V30 22 1 18 19
M  V30 23 2 19 20
M  V30 24 1 21 22
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
半枝莲	all - grass of Barbed Skullcap	Herba Scutellariae barbatae
穿心莲	all-grass of Common Androgrphis	Herba andrographitis
鬼箭羽	twig of Winged Euonymus	Ramulus Euonymi
黄芩	root of Baikal skullcap	Radix Scutellariae
剑叶龙血树	Swordleaf Dracaena Equivalent plant: Daemonorops d	Dracaena cochinchinensis
穿心莲	Elongate Andrographis	Andrographis elongata
香薷	all-grass of Haichow Elsholtzia	Herba Elsholtziae

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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