CAS号:117-39-5-槲皮素 - Quercetin-科华智慧

1. 主信息

英文名:	Quercetin
中文名:	槲皮素
CAS编号:	117-39-5
化学分子式：	C₁₅H₁₀O₇
化学分子量：	302.23 g/mol
SMILES：	C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
来源：	黄花蒿杨梅合欢夏枯草钩藤
结构类型：	黄酮醇类/二氢黄酮醇类
其它名称或标识：	3,3',4',5,7-pentahydroxyflavone dikvertin Quercetin

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	20mg	HPLC≥98%	60	点击购买	2-8℃	现货	-
科华智慧	100mg	HPLC≥98%	240	点击购买	2-8℃	现货	-
科华智慧	1g	97%	160	点击购买	2-8℃	现货	-
科华智慧	10g	97%	640	点击购买	2-8℃	现货	-
科华智慧	50g	97%	1920	点击购买	2-8℃	现货	-

回顶

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 -0.3256 -0.8658 -0.1246 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 2.6650 -0.0692 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4111 1.7247 0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0405 2.8247 0.0849 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5541 -3.0185 0.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 -0.5543 2.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9621 -0.7455 -0.4423 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3363 0.4858 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6894 -0.7456 -0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 0.2883 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 0.0180 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0582 1.5360 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 1.7149 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7304 0.5474 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4335 -1.9257 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8256 -1.8685 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6365 -0.1435 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4724 -0.6343 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5093 -0.0766 -1.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 -0.3998 0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8783 -0.3325 -1.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6263 -0.4943 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9319 -2.8883 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1602 -0.0715 1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5576 -0.5880 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 0.0465 -2.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -0.4053 -2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 2.4118 -0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7963 2.4741 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4988 -2.7937 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6637 -0.3751 1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2712 -1.1700 0.3741 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 12 1 0 0 0 0 2 28 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 4 13 2 0 0 0 0 5 16 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 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 17 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 17 20 1 0 0 0 0 17 24 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

回顶

4. 国际命名与标识

4.1 IUPAC Name

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

4.2 InChl

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

4.3 InChlKey

REFJWTPEDVJJIY-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)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 1.73205 1 0 0
M  V30 2 C 2.59808 1.5 0 0
M  V30 3 C 3.4641 1 0 0
M  V30 4 C 3.4641 3.33067e-15 0 0
M  V30 5 C 2.59808 -0.5 0 0
M  V30 6 C 1.73205 2.44249e-15 0 0
M  V30 7 C 0.866025 -0.5 0 0
M  V30 8 C 0.866025 -1.5 0 0
M  V30 9 C 3.88578e-15 -2 0 0
M  V30 10 O 5.77316e-15 -3 0 0
M  V30 11 C -0.866025 -1.5 0 0
M  V30 12 C -1.73205 -2 0 0
M  V30 13 C -2.59808 -1.5 0 0
M  V30 14 C -2.59808 -0.5 0 0
M  V30 15 C -1.73205 -3.66374e-15 0 0
M  V30 16 C -0.866025 -0.5 0 0
M  V30 17 O 0 -0 0 0
M  V30 18 O -3.4641 -7.54952e-15 0 0
M  V30 19 O -1.73205 -3 0 0
M  V30 20 O 1.73205 -2 0 0
M  V30 21 O 4.33013 -0.5 0 0
M  V30 22 O 4.33013 1.5 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 17
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 1 8 20
M  V30 14 2 9 10
M  V30 15 1 9 11
M  V30 16 1 11 16
M  V30 17 2 11 12
M  V30 18 1 12 13
M  V30 19 1 12 19
M  V30 20 2 13 14
M  V30 21 1 14 15
M  V30 22 1 14 18
M  V30 23 2 15 16
M  V30 24 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END

回顶

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

回顶

6. 相关药材

中文名称	英文名称	拉丁文名称
阿拉伯胶金合欢	Gum-arabic Tree	Acacia nilotica
矮地茶	Japanese Ardisia Herb	Ardisiae japonicae
艾叶	leaf of Argy Wormwood	Folium Artemisiae Argyi
八角茴香	Chinese Star Anise	Fructus Anisi Stellati
八角莲	Dysosmae Verspiellis Rhixoma Et Radix	-
白扁豆	White Hyacinth Bean	Semen Lablab Album
白果	Ginkgo seed	Semen Ginkgo
白果叶	Ginkgo Leaf	Ginkgo biloba
白花蛇舌草	all - grass of Spreading Hedyotis	Herba Hedyotis Diffusae
败酱草	All - grass of Dahurian Patrinia	Herba Patriniae

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型