CAS号:18003-33-3-6-羟基木犀草素 - 6-Hydroxyluteolin-科华智慧

1. 主信息

英文名:	6-Hydroxyluteolin
中文名:	6-羟基木犀草素
CAS编号:	18003-33-3
化学分子式：	C₁₅H₁₀O₇
化学分子量：	302.23 g/mol
SMILES：	C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O
来源：	-
结构类型：	黄酮类
其它名称或标识：	3',4',5,6,7-pentahydroxyflavone 5,6,7,3',4'-pentahydroxyflavone 6-hydroxyluteolin 6-OH-luteolin

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%	1088	点击购买	2-8℃	现货	-
科华智慧	20mg	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 32 34 0 0 0 0 0 0 0999 V2000 0.0036 0.6423 -0.1283 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1424 -1.8309 0.2424 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5175 0.5131 -0.0089 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8012 -2.9815 0.3293 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1603 2.9021 -0.3159 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6789 2.2271 0.8061 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 0.2321 -0.2234 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 -0.6463 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3653 0.5598 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 -0.5256 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2011 -0.3236 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2694 -1.8884 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4426 -0.6706 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2001 -1.7461 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0786 1.7518 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1536 0.5233 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4733 1.7319 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 0.8684 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0275 -1.3237 -0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1447 1.0591 0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4082 -1.1329 -0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9668 0.0584 -0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7775 -2.6559 0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 2.6944 -0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1418 1.6584 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6297 -2.2565 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0369 -1.9187 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5414 -2.5867 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8153 -0.4061 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 2.7039 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6443 2.1867 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7221 -0.5630 -0.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 2 28 1 0 0 0 0 3 16 1 0 0 0 0 3 29 1 0 0 0 0 4 12 2 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 20 1 0 0 0 0 6 31 1 0 0 0 0 7 22 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 13 16 2 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 19 21 2 0 0 0 0 19 26 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 27 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)-5,6,7-trihydroxychromen-4-one

4.2 InChl

InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H

4.3 InChlKey

VYAKIUWQLHRZGK-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)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 3.4641 3 0 0
M  V30 2 C 4.33013 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 2.59808 1.5 0 0
M  V30 8 C 2.59808 0.5 0 0
M  V30 9 C 1.73205 3.55271e-15 0 0
M  V30 10 O 1.73205 -1 0 0
M  V30 11 C 0.866025 0.5 0 0
M  V30 12 C 0.866025 1.5 0 0
M  V30 13 O 1.73205 2 0 0
M  V30 14 C -2.33147e-15 2 0 0
M  V30 15 C -0.866025 1.5 0 0
M  V30 16 C -0.866025 0.5 0 0
M  V30 17 C 0 -0 0 0
M  V30 18 O 2.77556e-16 -1 0 0
M  V30 19 O -1.73205 -2.77556e-15 0 0
M  V30 20 O -1.73205 2 0 0
M  V30 21 O 6.06218 1.5 0 0
M  V30 22 O 6.06218 3.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 3 22
M  V30 6 1 4 5
M  V30 7 1 4 21
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 1 7 13
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 2 9 10
M  V30 14 1 9 11
M  V30 15 1 11 17
M  V30 16 2 11 12
M  V30 17 1 12 13
M  V30 18 1 12 14
M  V30 19 2 14 15
M  V30 20 1 15 16
M  V30 21 1 15 20
M  V30 22 2 16 17
M  V30 23 1 16 19
M  V30 24 1 17 18
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
车前	Asiatic Plantain Equivalent plant: Plantago major	Plantago asiatica
车前草	all-grass of Rippleseed plantain	Herba Plantaginis
臭茉莉	Fragrant Glorybower	Clerodendron fragrans
大车前	Rippleseed Plantain	Plantago major
毛花毛地黄	Grecian Foxglove	Digitalis lanata
木蝴蝶	Indian Trumpetflower Seed	Semen Oroxyli
吴茱萸	Medicil Evodia Fruit	Fructus Evodiae
一枝香	Bastard Speedwell	Veronica spuria

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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