CAS号:437-64-9-芫花素 - Genkwanin-科华智慧

1. 主信息

英文名:	Genkwanin
中文名:	芫花素
CAS编号:	437-64-9
化学分子式：	C₁₆H₁₂O₅
化学分子量：	284.26 g/mol
SMILES：	COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
来源：	杜鹃兰活血丹芫花土沉香银杏
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	5,4'-dihydroxy-7-methoxy-flavone 5,4'-dihydroxy-7-methoxyflavone gengkwanin genkwanin

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%	800	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 33 35 0 0 0 0 0 0 0999 V2000 0.0559 -0.5915 -0.0295 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 -2.3225 -0.1157 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 2.3843 0.1001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2915 3.2493 0.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -0.9807 -0.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8209 0.9490 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2926 -0.3395 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 0.4847 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8976 2.0926 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3552 0.1010 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2036 1.1460 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5434 1.7690 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1465 -1.4415 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5283 -1.2489 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 0.0420 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.9588 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 -1.1224 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 0.5956 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 -1.4854 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 -0.6265 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7596 -3.6135 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2272 2.6074 0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6788 -2.4196 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1333 0.1859 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 1.9091 -0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 -1.8081 0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 1.2713 -0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4052 -2.4379 0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 3.0695 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1754 -3.8250 0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1725 -3.7432 -1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 -4.3485 -0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8823 -0.2699 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 14 1 0 0 0 0 2 21 1 0 0 0 0 3 11 1 0 0 0 0 3 29 1 0 0 0 0 4 9 2 0 0 0 0 5 20 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 12 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 15 24 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 21 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

4.2 InChl

InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

4.3 InChlKey

JPMYFOBNRRGFNO-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)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 21 23 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 -7.77156e-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 3.33067e-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 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 21
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 17 18
M  V30 22 1 17 20
M  V30 23 2 18 19
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
白木香	Chinese Eaglewood	Aquilaria sinensis
薄荷	Mentha, Peppermint	herba Menthae
大风子	Hydnocarpi Anthelminticae Semen	-
独一味	Common Lamiophlomis	Lamiophlomis rotata [Syn. Phlomis rotata ]
光果甘草	Licorice	Glycyrrhiza glabra
广藿香	Pogostemon Cablin (Blanco) Benth.	-
胶质鼠尾草	Sticky Clary	Salvia glutinosa
金荞麦	Rhizome fagopyri dibotryis	-
了哥王根	Wikstroemiae Indicae Rasix	-
麻黄	Ephedra	Herba Ephedrae

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