CAS号:41743-73-1-次野鸢尾黄素 - Irisflorentin-科华智慧

1. 主信息

英文名:	Irisflorentin
中文名:	次野鸢尾黄素
CAS编号:	41743-73-1
化学分子式：	C₂₀H₁₈O₈
化学分子量：	386.4 g/mol
SMILES：	COC1=CC(=CC(=C1OC)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4
来源：	射干野鸢尾薄叶鸢尾
结构类型：	异黄酮类/二氢异黄酮类
其它名称或标识：	irisflorentin

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%	294	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 46 49 0 0 0 0 0 0 0999 V2000 -1.5309 2.2486 0.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6118 -1.0896 -0.5732 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1482 1.0895 0.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -2.0395 -0.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4476 -1.4159 -0.5438 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4206 -0.8991 2.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 0.8673 -2.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7733 -0.2527 -0.1277 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1816 0.0834 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 1.3539 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1945 -0.8017 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4993 -0.3735 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2425 0.7045 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 0.8709 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -0.3084 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8256 1.7606 0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6891 0.4540 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2169 1.8748 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6524 -0.1563 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 0.7805 -0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3849 -0.1105 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7556 -0.3476 1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7406 0.5432 -1.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4335 -0.0207 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -3.1518 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5013 -2.3224 2.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4651 -0.1397 -3.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 0.7981 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0797 2.7385 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 2.6841 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 -0.6197 0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2535 0.0550 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8372 1.2207 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 -0.3687 2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8239 -4.0074 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 -3.4085 -0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5302 -2.9565 0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5006 -2.7613 2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0663 -2.6073 3.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0237 -2.7051 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 -0.4200 -3.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9961 -1.0208 -2.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0185 0.2670 -4.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4941 1.0319 1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4829 1.6933 -0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6757 0.4624 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 4 11 1 0 0 0 0 4 25 1 0 0 0 0 5 15 2 0 0 0 0 6 22 1 0 0 0 0 6 26 1 0 0 0 0 7 23 1 0 0 0 0 7 27 1 0 0 0 0 8 24 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 14 16 1 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

9-methoxy-7-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one

4.2 InChl

InChI=1S/C20H18O8/c1-22-13-5-10(6-14(23-2)18(13)24-3)11-8-26-12-7-15-19(28-9-27-15)20(25-4)16(12)17(11)21/h5-8H,9H2,1-4H3

4.3 InChlKey

RISXUTCDCPHJFQ-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC(=CC(=C1OC)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -7.01323 4.80902 0 0
M  V30 2 O -6.14721 4.30902 0 0
M  V30 3 C -6.14721 3.30902 0 0
M  V30 4 C -5.28118 2.80902 0 0
M  V30 5 C -5.28118 1.80902 0 0
M  V30 6 C -6.14721 1.30902 0 0
M  V30 7 C -7.01323 1.80902 0 0
M  V30 8 C -7.01323 2.80902 0 0
M  V30 9 O -7.87926 3.30902 0 0
M  V30 10 C -7.87926 4.30902 0 0
M  V30 11 O -7.87926 1.30902 0 0
M  V30 12 C -8.74529 1.80902 0 0
M  V30 13 C -4.41516 1.30902 0 0
M  V30 14 C -4.41516 0.309017 0 0
M  V30 15 O -3.54913 -0.190983 0 0
M  V30 16 C -2.68311 0.309017 0 0
M  V30 17 C -1.81708 -0.190983 0 0
M  V30 18 C -0.951057 0.309017 0 0
M  V30 19 C -0.951057 1.30902 0 0
M  V30 20 C -1.81708 1.80902 0 0
M  V30 21 C -2.68311 1.30902 0 0
M  V30 22 C -3.54913 1.80902 0 0
M  V30 23 O -3.54913 2.80902 0 0
M  V30 24 O -1.81708 2.80902 0 0
M  V30 25 C -0.951057 3.30902 0 0
M  V30 26 O -1.33227e-15 1.61803 0 0
M  V30 27 C 0.587785 0.809017 0 0
M  V30 28 O 0 0 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 13
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 7 11
M  V30 11 1 8 9
M  V30 12 1 9 10
M  V30 13 1 11 12
M  V30 14 1 13 22
M  V30 15 2 13 14
M  V30 16 1 14 15
M  V30 17 1 15 16
M  V30 18 1 16 21
M  V30 19 2 16 17
M  V30 20 1 17 18
M  V30 21 1 18 28
M  V30 22 2 18 19
M  V30 23 1 19 20
M  V30 24 1 19 26
M  V30 25 2 20 21
M  V30 26 1 20 24
M  V30 27 1 21 22
M  V30 28 2 22 23
M  V30 29 1 24 25
M  V30 30 1 26 27
M  V30 31 1 27 28
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
白花射干	Vesper Iris	Iris dichotoma
川射干	Iridis Tectori Rhizoma	-
卷鞘鸢尾	Potanin Iris	Iris potaninii
牛黄	Cow-bezoar	Calculus Bovis
射干	Blackberrylily Rhizome	Rhizoma Belamcandae

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