CAS号:19056-75-8-2-(2,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one

1. 主信息

英文名:	Morin pentamethyl ether
中文名:	2-(2,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one
CAS编号:	19056-75-8
化学分子式：	C₁₉H₁₈O₇
化学分子量：	358.3 g/mol
SMILES：	COC1=CC(=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC
来源：	合成化合物
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	10mg	HPLC≥98%	1600	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 44 46 0 0 0 0 0 0 0999 V2000 0.4841 -0.6220 -0.3263 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 2.8570 0.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 -1.2400 1.5435 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 -2.6577 -0.2954 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4857 2.0516 0.2432 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 3.0851 0.2205 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8028 -0.6089 -0.7852 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 0.7698 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3158 0.5075 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8424 -0.4692 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7525 0.2031 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1448 1.7581 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6071 1.9708 0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 0.8648 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6213 -1.6235 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3858 -0.6547 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4804 0.7881 -1.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0098 -1.5327 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6186 -0.2911 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7468 -0.9277 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8415 0.5150 -1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4747 -0.3429 -0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 3.0890 1.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 -2.1008 2.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0854 -3.8939 -0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3865 -1.4947 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.5595 -0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0059 1.4529 -2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 -0.2260 0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2441 -1.5900 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 0.9720 -2.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 2.7814 0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6943 3.9722 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 3.2950 2.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 2.2488 1.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7301 -2.4755 3.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 -2.9786 1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -1.5584 2.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4337 -4.1269 0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5484 -3.9141 -1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -4.6815 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4462 -1.5915 -0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3463 -1.0812 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9538 -2.4991 0.1068 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 23 1 0 0 0 0 3 16 1 0 0 0 0 3 24 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 14 1 0 0 0 0 5 32 1 0 0 0 0 6 13 2 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 14 19 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 19 29 1 0 0 0 0 20 22 2 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-(2,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one

4.2 InChl

InChI=1S/C19H18O7/c1-22-10-5-6-12(14(8-10)24-3)18-19(25-4)17(21)16-13(20)7-11(23-2)9-15(16)26-18/h5-9,20H,1-4H3

4.3 InChlKey

VHQCDGLXBNYODC-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC(=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.33013 2.5 0 0
M  V30 2 O -4.33013 1.5 0 0
M  V30 3 C -3.4641 1 0 0
M  V30 4 C -2.59808 1.5 0 0
M  V30 5 C -1.73205 1 0 0
M  V30 6 C -1.73205 -9.99201e-16 0 0
M  V30 7 C -2.59808 -0.5 0 0
M  V30 8 C -3.4641 -2.9976e-15 0 0
M  V30 9 C -0.866025 -0.5 0 0
M  V30 10 C -0.866025 -1.5 0 0
M  V30 11 C -1.7849e-16 -2 0 0
M  V30 12 O 1.76354e-16 -3 0 0
M  V30 13 C 0.866025 -1.5 0 0
M  V30 14 C 1.73205 -2 0 0
M  V30 15 C 2.59808 -1.5 0 0
M  V30 16 C 2.59808 -0.5 0 0
M  V30 17 C 1.73205 1.11022e-16 0 0
M  V30 18 C 0.866025 -0.5 0 0
M  V30 19 O 0 -0 0 0
M  V30 20 O 3.4641 1.11022e-15 0 0
M  V30 21 C 4.33013 -0.5 0 0
M  V30 22 O 1.73205 -3 0 0
M  V30 23 O -1.73205 -2 0 0
M  V30 24 C -1.73205 -3 0 0
M  V30 25 O -0.866025 1.5 0 0
M  V30 26 C -1.52058e-15 1 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 25
M  V30 8 1 6 7
M  V30 9 1 6 9
M  V30 10 2 7 8
M  V30 11 1 9 19
M  V30 12 2 9 10
M  V30 13 1 10 11
M  V30 14 1 10 23
M  V30 15 2 11 12
M  V30 16 1 11 13
M  V30 17 1 13 18
M  V30 18 2 13 14
M  V30 19 1 14 15
M  V30 20 1 14 22
M  V30 21 2 15 16
M  V30 22 1 16 17
M  V30 23 1 16 20
M  V30 24 2 17 18
M  V30 25 1 18 19
M  V30 26 1 20 21
M  V30 27 1 23 24
M  V30 28 1 25 26
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

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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