CAS号:72357-31-4-甘草黄酮 C - Licoflavone C-科华智慧

1. 主信息

英文名:	Licoflavone C
中文名:	甘草黄酮 C
CAS编号:	72357-31-4
化学分子式：	C₂₀H₁₈O₅
化学分子量：	338.4 g/mol
SMILES：	CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C
来源：	甘草
结构类型：	黄酮类
其它名称或标识：	licoflavone C

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≥95%	1200	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 43 45 0 0 0 0 0 0 0999 V2000 -0.0053 0.0791 -0.3089 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -1.8073 -0.9243 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0011 2.6882 0.5418 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5804 3.6504 0.8591 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3178 0.0647 -0.2946 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 -0.8539 -0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3665 0.2419 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 1.4359 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5151 -2.1407 -1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5437 -0.7496 -0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3631 1.5444 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 1.1533 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 2.5747 0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1473 0.4469 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3399 2.3498 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2672 -3.0728 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 0.8680 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0884 -3.5483 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 0.3496 1.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9428 1.1151 -1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 -4.4785 1.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 -3.1649 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2948 0.0802 0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 0.8457 -1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 0.3281 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 -2.6689 -1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6316 -1.9374 -1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2313 0.5307 -0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 3.1708 0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 -3.3966 0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.1489 1.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4297 1.5172 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2650 -1.5498 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -4.7392 2.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5682 -5.4077 1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7068 -4.0110 2.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1212 -2.3788 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9156 -2.8064 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6295 -4.0448 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3584 3.3789 0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8096 -0.3237 1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8412 1.0405 -2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6207 -0.2879 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 33 1 0 0 0 0 3 11 1 0 0 0 0 3 40 1 0 0 0 0 4 13 2 0 0 0 0 5 25 1 0 0 0 0 5 43 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 16 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 31 1 0 0 0 0 20 24 2 0 0 0 0 20 32 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

4.2 InChl

InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3

4.3 InChlKey

MEHHCBRCXIDGKZ-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.33013 -3.5 0 0
M  V30 2 C 3.4641 -3 0 0
M  V30 3 C 3.4641 -2 0 0
M  V30 4 C 4.33013 -1.5 0 0
M  V30 5 C 4.33013 -0.5 0 0
M  V30 6 C 3.4641 4.44089e-15 0 0
M  V30 7 C 3.4641 1 0 0
M  V30 8 C 4.33013 1.5 0 0
M  V30 9 C 5.19615 1 0 0
M  V30 10 C 5.19615 7.10543e-15 0 0
M  V30 11 O 6.06218 -0.5 0 0
M  V30 12 O 4.33013 2.5 0 0
M  V30 13 C 2.59808 1.5 0 0
M  V30 14 O 2.59808 2.5 0 0
M  V30 15 C 1.73205 1 0 0
M  V30 16 C 1.73205 2.44249e-15 0 0
M  V30 17 O 2.59808 -0.5 0 0
M  V30 18 C 0.866025 -0.5 0 0
M  V30 19 C 0.866025 -1.5 0 0
M  V30 20 C 2.88658e-15 -2 0 0
M  V30 21 C -0.866025 -1.5 0 0
M  V30 22 C -0.866025 -0.5 0 0
M  V30 23 C -0 -0 0 0
M  V30 24 O -1.73205 -2 0 0
M  V30 25 C 2.59808 -3.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 25
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 10
M  V30 7 2 5 6
M  V30 8 1 6 17
M  V30 9 1 6 7
M  V30 10 2 7 8
M  V30 11 1 7 13
M  V30 12 1 8 9
M  V30 13 1 8 12
M  V30 14 2 9 10
M  V30 15 1 10 11
M  V30 16 2 13 14
M  V30 17 1 13 15
M  V30 18 2 15 16
M  V30 19 1 16 17
M  V30 20 1 16 18
M  V30 21 1 18 23
M  V30 22 2 18 19
M  V30 23 1 19 20
M  V30 24 2 20 21
M  V30 25 1 21 22
M  V30 26 1 21 24
M  V30 27 2 22 23
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
胀果甘草	Inflated Licorice	Glycyrrhiza inflata

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